Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749139 | 1.00 | LDHA (0.45) | LDHACYP1B1CYP1A1ABCG2KDM4E | |
| SCHEMBL9614832 | 0.81 | TNF (0.44) | KDM4EALDH1A1HPGD | |
| SCHEMBL9614833 | 0.81 | TNF (0.44) | KDM4EALDH1A1HPGD | |
| SCHEMBL765996 | 0.76 | CYP1B1 (0.54) | LDHACYP1B1CYP1A1ABCG2KDM4E | |
| SCHEMBL765995 | 0.76 | CYP1B1 (0.54) | LDHACYP1B1CYP1A1ABCG2KDM4E | |
| SCHEMBL10993947 | 0.75 | SMPD2 (0.52) | CYP1B1CYP1A1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL10993939 | 0.75 | SMPD2 (0.52) | CYP1B1CYP1A1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL9574440 | 0.74 | NFKB1 (0.55) | KDM4EALDH1A1 | |
| SCHEMBL9748807 | 0.74 | GRIK1 (0.53) | LDHACYP1B1CYP1A1ABCG2KDM4E | |
| SCHEMBL9748809 | 0.74 | GRIK1 (0.53) | LDHACYP1B1CYP1A1ABCG2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0201071-B1 | 2-SUBSTITUTED-1-NAPHTHOLS AS 5-LIPOXYGENASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-03-04 | — | — | EP | claimed |