Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10660557 | 0.81 | ALDH2 (0.50) | ALDH1A1MAPTLMNATDP1L3MBTL1 | |
| SCHEMBL10648536 | 0.81 | HTT (0.42) | ALDH1A1MAPTLMNACYP2C9CYP2C19 | |
| SCHEMBL10643064 | 0.80 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL10658226 | 0.78 | AR (0.53) | ALDH1A1MAPTLMNATDP1CYP1A2 | |
| SCHEMBL11189920 | 0.76 | MAPT (0.62) | ALDH1A1MAPTLMNATDP1CYP1A2 | |
| SCHEMBL10656236 | 0.76 | ALDH2 (0.46) | ALDH1A1MAPTLMNATDP1SMN1; SMN2 | |
| SCHEMBL10658011 | 0.73 | PPARA (0.59) | ALDH1A1CYP1A2CYP3A4HPGDESR1 | |
| SCHEMBL10647792 | 0.73 | SLC22A12 (0.43) | ALDH1A1ESR1ESR2 | |
| SCHEMBL10643453 | 0.71 | ABCB11 (0.38) | ALDH1A1CYP1A2CYP3A4SMN1; SMN2HPGD | |
| SCHEMBL10644288 | 0.71 | CNR2 (0.43) | ALDH1A1MAPTCYP1A2CYP3A4SMN1; SMN2 |
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-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | claimed |