Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL70537 | 0.81 | HCAR2 (0.46) | ALDH1A1TSHRSMN1; SMN2LMNAHCAR2 | |
| SCHEMBL3523197 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2CASP1HCAR2 | |
| SCHEMBL5120215 | 0.70 | KMT2A (0.54) | ALDH1A1HCAR2KEAP1ALOX15CYP1A2 | |
| SCHEMBL353823 | 0.70 | GABRP (0.50) | ALDH1A1HCAR2ALOX15CYP1A2KDM4E | |
| SCHEMBL29952809 | 0.70 | GABRP (0.50) | ALDH1A1HCAR2ALOX15CYP1A2KDM4E | |
| SCHEMBL29952027 | 0.70 | KMT2A (0.54) | ALDH1A1HCAR2KEAP1ALOX15CYP1A2 | |
| SCHEMBL29446081 | 0.70 | SMN1; SMN2 (0.47) | ALDH1A1TSHRSMN1; SMN2TP53CASP1 | |
| SCHEMBL29574646 | 0.70 | ROCK2 (0.58) | ALDH1A1TSHRSMN1; SMN2TP53CASP1 | |
| SCHEMBL625580 | 0.70 | SMN1; SMN2 (0.47) | ALDH1A1TSHRSMN1; SMN2TP53CASP1 | |
| SCHEMBL7533 | 0.70 | ROCK2 (0.58) | ALDH1A1TSHRSMN1; SMN2TP53CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5688795-A | URINARY TRACTS OBSTRUCTION | SYNTEX (U.S.A.) INC. (US) | 1997-11-18 | — | — | US | disclosed |
| CN-1136039-A | [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives | HOFFMANN LA ROCHE (CH) | 1996-11-20 | — | — | CN | disclosed |
| EP-0711757-A1 | 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists | F. Hoffmann-La Roche AG (CH) | 1996-05-15 | — | — | EP | disclosed |