Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | GPR6 | P46095 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857894 | 0.92 | ALDH1A1 (0.43) | ALDH1A1GRM2ADORA3ADORA2AADORA1 | |
| SCHEMBL9857893 | 0.87 | CA5A (0.40) | ALDH1A1GPR139KMT2AMAPK1TP53 | |
| SCHEMBL11117769 | 0.82 | ALDH1A1 (0.48) | ALDH1A1P2RX7MEN1KMT2AMAPK1 | |
| SCHEMBL9858075 | 0.82 | CYP2C19 (0.48) | ALDH1A1MEN1KMT2AMAPK1 | |
| SCHEMBL9857981 | 0.81 | HTT (0.39) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL9858303 | 0.81 | PTGER1 (0.41) | ALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL10664842 | 0.74 | TP53 (0.54) | ALDH1A1TP53 | |
| SCHEMBL9857464 | 0.67 | CA5A (0.44) | ALDH1A1GRM2P2RX7ADORA3ADORA2A | |
| SCHEMBL10662829 | 0.66 | TP53 (0.59) | ALDH1A1L3MBTL1TP53 | |
| SCHEMBL11117131 | 0.65 | ALDH1A1 (0.48) | ALDH1A1P2RX7MEN1KMT2ATP53 |
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-0199262-B1 | FLUORINATED BENZYL TRIAZOLE COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-02-27 | — | — | EP | disclosed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | disclosed |