Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7982311 | 0.80 | ALDH1A1 (0.44) | SLC6A2MAPTALDH1A1KMT2AKDM4E | |
| SCHEMBL7360410 | 0.72 | CHRM5 (0.52) | CHRM5CHKASLC6A2MAPTSMN1; SMN2 | |
| SCHEMBL49134 | 0.72 | CHRM5 (0.52) | CHRM5CHKASLC6A2GAAMAPT | |
| SCHEMBL1036118 | 0.70 | CHRM5 (0.56) | CHRM5CHKASLC6A2MAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7861604 | 0.70 | ALDH1A1 (0.50) | CHRM5CHKASLC6A2GAAMAPT | |
| SCHEMBL3416208 | 0.67 | CHRM5 (0.58) | CHRM5CHKASLC6A2MAPTSMN1; SMN2 | |
| SCHEMBL11096837 | 0.67 | CHRM5 (0.73) | CHRM5CHKASLC6A2MAPTSMN1; SMN2 | |
| Methyl Alcohol SCHEMBL28737572 | 0.66 | CHRM5 (0.57) | CHRM5CHKASLC6A2MAPTSMN1; SMN2 | |
| SCHEMBL24620298 | 0.65 | MAPT (0.47) | CHRM5CHKASLC6A2MAPTALDH1A1 | |
| SCHEMBL9135564 | 0.65 | CHRM5 (0.70) | CHRM5CHKAMAPTSMN1; SMN2ALDH1A1 |
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-1960347-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS | Sterix Limited (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007003934-A2 | 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS | STERIX LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |