Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA3 | P15088 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278235 | 0.88 | CYP1A2 (0.52) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL6700981 | 0.83 | CHRM1 (0.46) | CYP1A2ALDH1A1LMNACTRB1 | |
| SCHEMBL9325914 | 0.81 | ALDH1A1 (0.49) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL7309732 | 0.81 | ALDH1A1 (0.49) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL7300596 | 0.81 | ALDH1A1 (0.49) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL7356256 | 0.81 | ALDH1A1 (0.42) | CYP1A2ALDH1A1LMNA | |
| SCHEMBL9257699 | 0.80 | SMN1; SMN2 (0.53) | ALDH1A1 | |
| SCHEMBL21811160 | 0.78 | CYP1A2 (0.59) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL7289839 | 0.77 | CPA3 (0.66) | CPA3CYP1A2CPA1CPB1CPB2 | |
| SCHEMBL7354310 | 0.77 | CPA3 (0.66) | CPA3CYP1A2CPA1CPB1CPB2 |
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-5393875-A | Hypotensive, cardiotonic and antiischemic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0509354-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-21 | — | — | EP | disclosed |