Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CPA1 | P15085 | 7/20 | 0.49 |
| ▸ | CPA3 | P15088 | 3/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.49 |
| ▸ | CPB1 | P15086 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.49 |
| ▸ | UBE2N | P61088 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
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 | 0.85 | CHRM1 (0.46) | CYP1A2UBE2NCHRM1MME | |
| SCHEMBL10729570 | 0.80 | CPA3 (0.63) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7273492 | 0.80 | CYP1A2 (0.63) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7273483 | 0.80 | CYP1A2 (0.63) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9108793 | 0.78 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL9110135 | 0.78 | CYP1A2 (0.53) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7434987 | 0.78 | CYP1A2 (0.66) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL162841 | 0.77 | CYP1A2 (0.70) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL10010707 | 0.77 | FOLH1 (0.69) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7445796 | 0.77 | CYP1A2 (0.54) | CYP1A2CPA1CPA3FOLH1CPB1 |
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-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 |
| WO-1995008531-A1 | ALKYLAMINOALKYL-TERMINATED SULFIDE/SULFONYL-CONTAINING PROPARGYL AMINO-DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1995-03-30 | — | — | WO | disclosed |