Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CPA3 | P15088 | 3/20 | 0.66 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.62 |
| ▸ | CPA1 | P15085 | 7/20 | 0.59 |
| ▸ | CPB1 | P15086 | 1/20 | 0.59 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.59 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.54 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.54 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.54 |
| ▸ | ANPEP | P15144 | 1/20 | 0.53 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.53 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.53 |
| ▸ | MME | P08473 | 2/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12494703 | 1.00 | CYP1A2 (0.68) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL19821208 | 0.90 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL6724759 | 0.90 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL12494233 | 0.90 | CYP1A2 (0.83) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL3276235 | 0.89 | CYP1A2 (0.68) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| Hydrochloric Acid SCHEMBL6717346 | 0.88 | CYP1A2 (0.79) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL12494053 | 0.86 | CYP1A2 (0.63) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL5485361 | 0.86 | CYP1A2 (0.63) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL12493651 | 0.85 | CYP1A2 (0.74) | CYP1A2CPA3FOLH1CPA1CPB1 | |
| SCHEMBL8315228 | 0.85 | CYP1A2 (0.68) | CYP1A2CPA3FOLH1CPA1CPB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012125622-A1 | SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-09-20 | — | — | WO | disclosed |