Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | GRK2 | P25098 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9735004 | 0.77 | CA5A (0.44) | ALDH1A1ADORA2AADORA2BADORA1CA5A | |
| SCHEMBL9734773 | 0.76 | GAA (0.41) | ALDH1A1ADORA2AADORA2BCA5APOLB | |
| SCHEMBL9733899 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MAPTPOLBHPGDNPC1 | |
| SCHEMBL9733613 | 0.73 | GRK2 (0.36) | ALDH1A1CA5ATP53ROCK2GRK2 | |
| SCHEMBL9734745 | 0.73 | BRD4 (0.39) | ADORA2AADORA2BADORA1TP53ROCK2 | |
| SCHEMBL22894792 | 0.67 | PPARG (0.40) | MAPTPOLBTP53NPC1RAB9A | |
| SCHEMBL113326 | 0.66 | TAAR1 (0.48) | ALDH1A1MAPTPOLBTAAR1NPC1 | |
| SCHEMBL9733514 | 0.66 | CA5A (0.42) | ALDH1A1ADORA2AADORA2BADORA1MAPT | |
| SCHEMBL5205493 | 0.66 | TAAR1 (0.46) | ALDH1A1ARPOLBTP53TAAR1 | |
| SCHEMBL3648972 | 0.63 | HDAC6 (0.52) | TP53NPC1 |
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-5098922-A | Anticonvulsants | CIBA-GEIGY CORPORATION (US) | 1992-03-24 | — | — | US | disclosed |
| US-5045556-A | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |
| EP-0267147-B1 | ARALKYL-4H-1,2,4-TRIAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-08-07 | — | — | EP | disclosed |
| EP-0267147-A1 | Aralkyl-4H-1,2,4-triazole derivatives | CIBA-GEIGY AG (CH) | 1988-05-11 | — | — | EP | disclosed |