Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13882780 | 0.83 | PTGES2 (0.42) | ALDH1A1PTGES2TRPV1TSHRHSD17B10 | |
| SCHEMBL1907911 | 0.82 | ALDH1A1 (0.48) | ALDH1A1PTGES2TRPV1TSHRHSD17B10 | |
| SCHEMBL171790 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TSHRPIM1PIM2CHRNB2 | |
| SCHEMBL465606 | 0.80 | DRD1 (0.52) | ALDH1A1PTGES2TRPV1TSHRHSD17B10 | |
| SCHEMBL9823373 | 0.80 | PTGES2 (0.40) | ALDH1A1PTGES2TRPV1TSHRHSD17B10 | |
| SCHEMBL5366998 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TSHRHSD17B10 | |
| SCHEMBL19595301 | 0.78 | PIM1 (0.52) | PIM1PIM2MAPTHTTCETP | |
| SCHEMBL8108082 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRPIM1PIM2CHRNB2 | |
| SCHEMBL3293415 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PTGES2TRPV1TSHRHSD17B10 | |
| SCHEMBL30352441 | 0.76 | KIF11 (0.45) | ALDH1A1PIM1PIM2MAPTEPHX2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0174769-B1 | ANTIFUNGAL AZOLE COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-11-21 | — | — | EP | claimed |
| US-4925863-A | 1,3-DI(1,2,4-TRIAZOL-1-YL)-2-PROPANOL DERIVATIVES SUBSTITUTED WITH A STYRYL GROUP | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-15 | — | — | US | claimed |
| EP-0174769-A1 | Antifungal azole compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-03-19 | — | — | EP | claimed |