Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 2/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449130 | 0.82 | ALOX5AP (0.45) | GAAERN1 | |
| SCHEMBL6449181 | 0.80 | ALDH1A1 (0.32) | DRD2CYP11B1FDPSKMT2ANPSR1 | |
| SCHEMBL4621426 | 0.79 | ALDH1A1 (0.46) | S1PR1ALDH1A3KMOERN1 | |
| SCHEMBL3422964 | 0.79 | KMO (0.52) | S1PR1KMO | |
| SCHEMBL6449762 | 0.77 | PTGDR2 (0.37) | — | |
| SCHEMBL5828071 | 0.76 | HDAC11 (0.41) | KMT2A | |
| SCHEMBL3426180 | 0.73 | ALDH1A1 (0.57) | FDPSMCL1BAK1KMT2ANPSR1 | |
| SCHEMBL3423534 | 0.73 | ALDH1A3 (0.62) | ALDH1A3CYP11B1MCL1ERN1 | |
| SCHEMBL36740 | 0.72 | ALDH1A1 (0.50) | ALDH1A3DRD2FDPSNPSR1 | |
| SCHEMBL30360260 | 0.72 | ALDH1A1 (0.50) | ALDH1A3DRD2FDPSNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896462-A2 | SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | The Pfahl Family Trust (Dated 9 July 1996) (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006130613-A2 | SUBSTITUTED BIARYLHETEROCYCLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES | THE PFAHL FAMILY TRUST (DATED 9 JULY 1996) (US) | 2006-12-07 | — | — | WO | disclosed |