Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 8/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | VEGFA | P15692 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5401841 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL7804797 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL6067809 | 0.95 | ALDH1A1 (0.48) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL7463203 | 0.95 | ALDH1A1 (0.48) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL7627312 | 0.80 | NAAA (0.40) | — | |
| SCHEMBL7627317 | 0.80 | NAAA (0.40) | — | |
| SCHEMBL10593938 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL7095007 | 0.74 | VEGFA (0.61) | ALDH1A1KDM4ECCR2RAB9AVEGFA | |
| SCHEMBL8837762 | 0.74 | TRPA1 (0.33) | ALDH1A1 | |
| SCHEMBL8428728 | 0.74 | TRPA1 (0.33) | ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501514-B1 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2012-12-19 | — | — | EP | disclosed |
| US-7704995-B2 | Protein kinase modulators and methods of use | EXELIXIS, INC. (US) | 2010-04-27 | — | — | US | disclosed |
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20060211709-A1 | Protein kinase modulators and methods of use | EXELIXIS, INC. | 2006-09-21 | — | — | US | disclosed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | 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 (1 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-20060211709-A1 | Protein kinase modulators and methods of use | GRK2, MAP4K2, MAPKAPK2 | ALDH1A1 3298/4885KDM4E 1532/4885CCR2 3708/4885 |
“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.