Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.41 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 3/20 | 0.39 |
| ▸ | CPA3 | P15088 | 3/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CPB1 | P15086 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7290672 | 0.86 | CYP1A2 (0.61) | CYP1A2MMECPA1CPA3FOLH1 | |
| SCHEMBL7272157 | 0.86 | CYP1A2 (0.61) | CYP1A2MMECPA1CPA3FOLH1 | |
| SCHEMBL7438505 | 0.80 | CYP1A2 (0.45) | CYP1A2ERAP2ERAP1ANPEPCYP3A4 | |
| SCHEMBL9556401 | 0.79 | LDHA (0.58) | KIF11 | |
| SCHEMBL9556399 | 0.79 | LDHA (0.58) | KIF11 | |
| SCHEMBL7346172 | 0.75 | CYP1A2 (0.77) | CYP1A2ERAP2ERAP1ANPEPCYP3A4 | |
| SCHEMBL21896403 | 0.75 | FOLH1 (0.51) | CYP1A2ERAP2ERAP1ANPEPCPA3 | |
| SCHEMBL8531043 | 0.75 | CYP1A2 (0.42) | CYP1A2ERAP2ERAP1ANPEPCYP3A4 | |
| SCHEMBL397348 | 0.74 | CYP1A2 (0.42) | CYP1A2MMEFOLH1 | |
| SCHEMBL397349 | 0.74 | CYP1A2 (0.42) | CYP1A2MMEFOLH1 |
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-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | disclosed |
| EP-0428849-A2 | Retroviral protease inhibitors | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-05-29 | — | — | EP | disclosed |