Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29274282 | 0.85 | NPC1 (0.61) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL40607 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29274288 | 0.80 | HSD17B10 (0.52) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL301933 | 0.80 | ALDH1A1 (0.69) | ALDH1A1TSHRNPC1RAB9AHPGD | |
| SCHEMBL10587696 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL10338964 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TSHRNPC1RAB9AHPGD | |
| SCHEMBL29274250 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12253375 | 0.76 | VCAM1 (0.57) | TSHRRAB9ALMNAMAPTMAPK1 | |
| SCHEMBL12253370 | 0.76 | VCAM1 (0.57) | TSHRRAB9ALMNAMAPTMAPK1 | |
| SCHEMBL9769704 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TSHRSMN1; SMN2LMNAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1960347-B1 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | STERIX LTD (GB) | 2012-06-20 | — | — | EP | disclosed |