Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 4/20 | 0.44 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 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 | |
|---|---|---|---|---|
| SCHEMBL8895907 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2C9LDHAPPARAPPARG | |
| SCHEMBL8894728 | 0.93 | SLC1A3 (0.48) | CYP1A2CYP2C9PPARAANPEPALDH1A1 | |
| SCHEMBL8894736 | 0.93 | SLC1A3 (0.48) | CYP1A2CYP2C9PPARAANPEPALDH1A1 | |
| SCHEMBL8893679 | 0.88 | SLC1A3 (0.54) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL7439274 | 0.88 | SLC1A3 (0.54) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL7439269 | 0.88 | SLC1A3 (0.54) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL8893674 | 0.88 | SLC1A3 (0.54) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL8891774 | 0.87 | LDHA (0.56) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL8891766 | 0.87 | LDHA (0.56) | CYP1A2LDHAPPARAPPARGLTA4H | |
| SCHEMBL8892836 | 0.82 | LDHA (0.51) | LDHAPPARAPPARGLTA4HMMP1 |
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-5643878-A | TREATMENT OF RETROVIRAL DISEASES LIKE AIDS | CIBA-GEIGY CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0618222-A2 | Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid | CIBA-GEIGY AG (CH) | 1994-10-05 | — | — | EP | disclosed |