Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18383388 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAHIF1AADRA2A | |
| SCHEMBL6824923 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAHIF1AADRA2A | |
| Hydrochloric Acid SCHEMBL31568880 | 0.98 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAHIF1AADRA2A | |
| SCHEMBL11614118 | 0.86 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL12159675 | 0.85 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL18517040 | 0.85 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL18116758 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL18211541 | 0.81 | MEN1 (0.54) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL22577634 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4ELMNAMAPTKMT2A | |
| SCHEMBL811522 | 0.80 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTKMT2AMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | SEATTLE GENETICS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-20170014524-A1 | AURISTATIN-ANTIBODY CONJUGATES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE | 2017-01-19 | — | — | 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-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| US-6894190-B2 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-05-17 | — | — | US | disclosed |
| US-20030232886-A1 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2003-12-18 | — | — | US | disclosed |
| US-6653507-B2 | Useful intermediate compound of pharmaceuticals for urinary incontinence | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-11-25 | — | — | US | disclosed |
| US-20020143212-A1 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2002-10-03 | — | — | US | disclosed |
| US-6403832-B1 | MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-11 | — | — | US | disclosed |
| EP-1074539-A2 | Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-02-07 | — | — | EP | disclosed |
| EP-0055689-B1 | 3-SUBSTITUTED 2,4,6-TRIHALOGENOBENZAMIDES AND THEIR SALTS, THEIR PREPARATION AND THEIR USE AS SUBSTITUTES FOR NATURAL SWEETENING AGENTS, AND SWEETENERS CONTAINING THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-07-04 | — | — | EP | disclosed |
| EP-0055689-A1 | 3-Substituted 2,4,6-trihalogenobenzamides and their salts, their preparation and their use as substitutes for natural sweetening agents, and sweeteners containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1982-07-07 | — | — | EP | 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 3562/4885KDM4E 648/4885LMNA 578/4885 |
| US-20030232886-A1 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | ALDH1A2, CYP8B1, CYP11B2 | ALDH1A1 141/4885KDM4E 3102/4885LMNA 1166/4885 |
| US-20020143212-A1 | Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof | ALDH1A2, ALDH7A1, ALDH18A1 | ALDH1A1 73/4885KDM4E 2234/4885LMNA 1926/4885 |
| US-20170014524-A1 | AURISTATIN-ANTIBODY CONJUGATES AND USES THEREOF | AURKC, AURKA, AURKB | ALDH1A1 1213/4885KDM4E 2352/4885LMNA 3359/4885 |
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | PTMS, MMAB, DNPEP | ALDH1A1 3502/4885KDM4E 608/4885LMNA 572/4885 |
“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.