Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11825903 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11823289 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11822188 | 0.84 | KMT2A (0.50) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11825922 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11827520 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11826752 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11826884 | 0.82 | HTR2C (0.43) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL11835683 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11822016 | 0.80 | KMT2A (0.40) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11819566 | 0.80 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-3975384-A | ANTITHROMBOTICS | BOEHRINGER INGELHEIM GMBH (DT) | 1976-08-17 | — | — | US | disclosed |