Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | USP2 | O75604 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10011720 | 0.87 | PDE4A (0.49) | ALDH1A1HPGDUSP2HSD17B10MAPT | |
| SCHEMBL1104386 | 0.80 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTKMT2AMEN1 | |
| SCHEMBL6406802 | 0.80 | KMT2A (0.57) | ALDH1A1HPGDUSP2HSD17B10ALOX15 | |
| SCHEMBL1104400 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HPGDKMT2ALMNATSHR | |
| SCHEMBL10480343 | 0.79 | TSHR (0.38) | ALDH1A1HPGDHSD17B10MAPTLMNA | |
| SCHEMBL1104401 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HPGDHSD17B10MAPTLMNA | |
| SCHEMBL10012170 | 0.77 | DHFR (0.48) | ALDH1A1HPGDUSP2HSD17B10MAPT | |
| SCHEMBL6404288 | 0.77 | ALDH1A1 (0.58) | ALDH1A1HPGDMAPTKMT2AMEN1 | |
| SCHEMBL14160787 | 0.77 | KDM4E (0.50) | ALDH1A1HPGDCYP1A2CYP2C19CYP3A4 | |
| SCHEMBL1104378 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HPGDUSP2HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1989006125-A1 | 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-07-13 | — | — | WO | claimed |
| EP-0323737-A1 | 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols | SMITHKLINE BEECHAM CORPORATION (US) | 1989-07-12 | — | — | EP | claimed |
| WO-1989006125-A1 | 4-ARALKYL-5-SUBSTITUTED-1,2,4-TRIAZOLE-5-THIOLS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-07-13 | — | — | WO | disclosed |
| EP-0323737-A1 | 4-Aralkyl-5-substituted-1,2,4-triazole-5-thiols | SMITHKLINE BEECHAM CORPORATION (US) | 1989-07-12 | — | — | EP | disclosed |