Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 16/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CLK1 | P49759 | 1/20 | 0.54 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL18230190 | 0.88 | DYRK1A (0.63) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL4635926 | 0.85 | RAB9A (0.59) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL3346089 | 0.81 | CASP3 (0.60) | DYRK1ANPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL1358985 | 0.79 | LDHA (0.44) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL3283083 | 0.78 | DYRK1A (1.00) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL4501407 | 0.75 | DYRK1A (0.71) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL10170616 | 0.74 | DYRK1A (1.00) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL2175580 | 0.74 | DYRK1A (1.00) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL4972668 | 0.74 | RAB9A (0.56) | DYRK1AADORA1NPC1RAB9ACYP1A2 | |
| SCHEMBL15377151 | 0.73 | DYRK1A (0.68) | DYRK1AADORA1NPC1RAB9ACYP1A2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060128634-A1 | Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-15 | — | — | US | claimed |
| EP-1597322-A2 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS Deutschland GmbH (DE) | 2005-11-23 | — | — | EP | claimed |
| US-6943170-B2 | N-cycloalkylglycines as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-13 | — | — | US | claimed |
| WO-2004072087-A2 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS DEUTSCHLAND GMBH (DE) | 2004-08-26 | — | — | WO | claimed |
| US-20040142878-A1 | N-cycloalkylglycines as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-22 | — | — | US | claimed |
| WO-2004043911-A2 | N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | claimed |
| WO-2004043355-A2 | ALPHA, ALPHA-DISUBSTITUTED BENZYLGLYCINE DERIVATIVES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | claimed |
| US-20060128634-A1 | Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-15 | — | — | US | disclosed |
| EP-1597322-A2 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS Deutschland GmbH (DE) | 2005-11-23 | — | — | EP | disclosed |
| US-6943170-B2 | N-cycloalkylglycines as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-09-13 | — | — | US | disclosed |
| WO-2004072087-A2 | METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS DEUTSCHLAND GMBH (DE) | 2004-08-26 | — | — | WO | disclosed |
| US-20040142878-A1 | N-cycloalkylglycines as HIV protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-22 | — | — | US | disclosed |
| WO-2004043911-A2 | N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043355-A2 | ALPHA, ALPHA-DISUBSTITUTED BENZYLGLYCINE DERIVATIVES AS HIV PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | 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 (2 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-20060128634-A1 | Alpha, alpha-disubstituted benzylglycine derivatives as HIV protease inhibitors | PEPD, DNPEP, PREP | DYRK1A 2747/4885ADORA1 1861/4885NPC1 803/4885 |
| US-20040142878-A1 | N-cycloalkylglycines as HIV protease inhibitors | DNPEP, ANPEP, PREP | DYRK1A 4163/4885ADORA1 2209/4885NPC1 160/4885 |
“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.