Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6700981 | 0.88 | CHRM1 (0.46) | ALDH1A1LMNACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL7278235 | 0.83 | CYP1A2 (0.52) | ALDH1A1LMNACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL7282736 | 0.81 | CPA3 (0.48) | ALDH1A1LMNACYP1A2 | |
| SCHEMBL7357597 | 0.78 | CYP3A4 (0.43) | ALDH1A1TSHRNR4A1LMNACYP1A2 | |
| SCHEMBL9325914 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP3A4CA1 | |
| SCHEMBL7309732 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP3A4CA1 | |
| SCHEMBL7300596 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6CYP3A4CA1 | |
| SCHEMBL17617234 | 0.75 | CYP1A2 (0.58) | ALDH1A1CYP1A2CYP2D6CYP3A4L3MBTL1 | |
| SCHEMBL21811160 | 0.73 | CYP1A2 (0.59) | ALDH1A1LMNACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL7385299 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2D6CYP3A4CA1 |
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 |