Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6704258 | 0.88 | CHRM1 (0.46) | CYP3A4CYP1A2CYP2D6MAPTCYP2C9 | |
| SCHEMBL7277529 | 0.83 | CYP1A2 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7356256 | 0.78 | ALDH1A1 (0.42) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17617234 | 0.75 | CYP1A2 (0.58) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7293157 | 0.75 | CYP1A2 (0.69) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21811160 | 0.73 | CYP1A2 (0.59) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27572975 | 0.73 | CA1 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18901918 | 0.72 | ALDH1A1 (0.47) | CYP3A4CYP1A2CYP2D6MAPTALDH1A1 | |
| SCHEMBL8500113 | 0.72 | PPARA (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7330184 | 0.72 | CYP1A2 (0.54) | CYP1A2MMECHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5488066-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1996-01-30 | — | — | US | disclosed |
| US-5416119-A | Alkylaminoalkyl-terminated sulfide/sulfonyl-containing cycloalkyl-alanine amino-diol compounds for treatment of hypertension | G. D. SEARLE & CO. (US) | 1995-05-16 | — | — | US | disclosed |