Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PON1 | P27169 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | ICMT | O60725 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2139060 | 0.86 | HPGD (0.42) | TAAR1HPGDALDH1A1 | |
| SCHEMBL7330961 | 0.83 | HPGD (0.44) | TAAR1KMT2AMEN1TP53MCL1 | |
| SCHEMBL1030033 | 0.82 | TAAR1 (0.56) | TAAR1KMT2ANPSR1TP53PON1 | |
| SCHEMBL5354908 | 0.80 | TAAR1 (0.54) | TAAR1KMT2ANPSR1MEN1TP53 | |
| SCHEMBL7662696 | 0.79 | TAAR1 (0.39) | TAAR1KMT2AMEN1TP53MCL1 | |
| SCHEMBL2809167 | 0.75 | EGFR (0.48) | KMT2AMEN1CA12CA9TDP1 | |
| SCHEMBL19512763 | 0.73 | RXRA (0.49) | KMT2AMEN1TP53MCL1ICMT | |
| SCHEMBL1047499 | 0.72 | TDP1 (0.46) | MCL1TDP1ACHEARALDH1A1 | |
| SCHEMBL7673877 | 0.72 | ALOX5 (0.44) | HPGDCYP3A4 | |
| SCHEMBL16215286 | 0.72 | TAAR1 (0.34) | TAAR1KMT2AMEN1TP53MCL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5545645-A | Heterocyclic derivatives in the treatment of ischaemia and related diseases | SYNTEX PHARMACEUTICALS, LIMITED (GB) | 1996-08-13 | — | — | US | disclosed |
| EP-0693062-A1 | HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES | SYNTEX PHARMACEUTICALS LTD. (GB) | 1996-01-24 | — | — | EP | disclosed |
| US-5428037-A | Piperazine derivatives; calcium and sodium channel antagonists | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1995-06-27 | — | — | US | disclosed |
| WO-1994024116-A1 | HETEROCYCLIC DERIVATIVES IN THE TREATMENT OF ISCHAEMIA AND RELATED DISEASES | SYNTEX PHARMACEUTICALS LIMITED (GB) | 1994-10-27 | — | — | WO | disclosed |