Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28383967 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4TDP1RECQL | |
| SCHEMBL3196901 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP3A4TDP1HSD17B10 | |
| SCHEMBL6816414 | 0.82 | — | — | |
| SCHEMBL17339128 | 0.77 | TDP1 (0.42) | ALDH1A1TSHRCYP3A4TDP1HSD17B10 | |
| SCHEMBL15063757 | 0.77 | TSHR (0.46) | ALDH1A1TSHRCYP3A4TDP1RECQL | |
| SCHEMBL8426114 | 0.76 | VCAM1 (0.40) | ALDH1A1TSHRCYP3A4TDP1HSD17B10 | |
| SCHEMBL1891926 | 0.76 | TSHR (0.44) | ALDH1A1TSHRCYP3A4TDP1RECQL | |
| SCHEMBL10326054 | 0.75 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP3A4TDP1HSD17B10 | |
| SCHEMBL20584089 | 0.74 | CYP1A2 (0.47) | ALDH1A1TSHRCYP3A4TDP1RECQL | |
| SCHEMBL6152635 | 0.74 | TSHR (0.43) | ALDH1A1TSHRCYP3A4TDP1RECQL |
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 |