Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6814699 | 0.81 | ALDH1A1 (0.33) | ALDH1A1CYP3A4GPR35 | |
| SCHEMBL909526 | 0.80 | TSHR (0.44) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL6282528 | 0.78 | TSHR (0.42) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL9848798 | 0.77 | TSHR (0.41) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL9621791 | 0.73 | CASP6 (0.42) | ALDH1A1GPR35VCAM1TSHRMAPK1 | |
| SCHEMBL9180125 | 0.71 | TSHR (0.62) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL68172 | 0.71 | ALDH1A1 (0.71) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL11332607 | 0.71 | GPR35 (0.46) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL8767757 | 0.69 | ALDH1A1 (0.63) | ALDH1A1CYP3A4GPR35VCAM1TSHR | |
| SCHEMBL2565885 | 0.69 | ALDH1A1 (0.69) | ALDH1A1CYP3A4GPR35VCAM1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993441-B1 | INHIBITORS OF p38 | VERTEX PHARMA (US) | 2005-06-01 | — | — | EP | disclosed |
| US-6093742-A | TREATMENT OF INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, DESTRUCTIVE BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, VIRAL DISEASE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 2000-07-25 | — | — | US | disclosed |
| EP-0993441-A1 | INHIBITORS OF p38 | Vertex Pharmaceuticals Incorporated (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999000357-A1 | INHIBITORS OF p38 | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-01-07 | — | — | WO | disclosed |