Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.63 |
| ▸ | AHCY | P23526 | 6/20 | 0.62 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | PI4KA | P42356 | 3/20 | 0.55 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.55 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.55 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.52 |
| ▸ | ADCY5 | O95622 | 2/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10683911 | 1.00 | ALDH1A1 (0.75) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL8628392 | 0.86 | ALDH1A1 (0.64) | ALDH1A1ADORA2AADORA1EGFRPI4KA | |
| SCHEMBL7278897 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL2049962 | 0.86 | ALDH1A1 (1.00) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL2049963 | 0.86 | ALDH1A1 (1.00) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL7278886 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL2049965 | 0.86 | ALDH1A1 (1.00) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL6532875 | 0.84 | ALDH1A1 (0.73) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL7279764 | 0.84 | ALDH1A1 (0.54) | ALDH1A1ADORA2AADORA1AHCYEGFR | |
| SCHEMBL7279752 | 0.84 | ALDH1A1 (0.54) | ALDH1A1ADORA2AADORA1AHCYEGFR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5658885-A | OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-19 | — | — | US | claimed |
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | SEATTLE GENETICS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-8445440-B2 | Dimeric IAP inhibitors | NOVARTIS AG (CH) | 2013-05-21 | — | — | US | disclosed |
| US-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| EP-2539333-A1 | DIMERIC IAP INHIBITORS | Novartis AG (CH) | 2013-01-02 | — | — | EP | disclosed |
| US-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| US-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| WO-2011104266-A1 | DIMERIC IAP INHIBITORS | NOVARTIS AG (CH) | 2011-09-01 | — | — | WO | disclosed |
| US-20110206690-A1 | DIMERIC IAP INHIBITORS | NOVARTIS AG (CH) | 2011-08-25 | — | — | US | disclosed |
| EP-1252178-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-10-30 | — | — | EP | disclosed |
| US-20020123468-A1 | Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-05 | — | — | US | disclosed |
| US-20020065248-A1 | Inhibitors of hepatitis C virus NS3 protease | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-05-30 | — | — | US | disclosed |
| EP-1196436-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | Bristol-Myers Squibb Pharma Company (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001064678-A2 | INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-09-07 | — | — | WO | disclosed |
| WO-2001040262-A1 | ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-06-07 | — | — | WO | disclosed |
| WO-2001002424-A2 | PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-01-11 | — | — | WO | disclosed |
| US-5658885-A | OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0787010-A1 | AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-06 | — | — | EP | disclosed |
| WO-1996012499-A1 | AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-05-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | MMAB, PTMS, DNPEP | ALDH1A1 3562/4885ADORA2A 4799/4885ADORA1 4714/4885 |
| US-20020065248-A1 | Inhibitors of hepatitis C virus NS3 protease | TMPRSS15, CTRC, CPN1 | ALDH1A1 1353/4885ADORA2A 4467/4885ADORA1 3483/4885 |
| US-20110206690-A1 | DIMERIC IAP INHIBITORS | XIAP, BIRC5, BIRC2 | ALDH1A1 4127/4885ADORA2A 4543/4885ADORA1 4483/4885 |
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | PTMS, MMAB, DNPEP | ALDH1A1 3502/4885ADORA2A 4791/4885ADORA1 4703/4885 |
| US-20020123468-A1 | Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease | CES1, CYP51A1, SPINT2 | ALDH1A1 697/4885ADORA2A 4746/4885ADORA1 3715/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.