Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TLR4 | O00206 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11208581 | 1.00 | CYP1A2 (0.41) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11213433 | 0.98 | EPHX1 (0.41) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11208942 | 0.98 | EPHX1 (0.41) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11208940 | 0.98 | EPHX1 (0.41) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11213430 | 0.98 | EPHX1 (0.41) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11064206 | 0.96 | CYP1A2 (0.44) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11064203 | 0.96 | CYP1A2 (0.44) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11032188 | 0.94 | CYP1A2 (0.42) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL11029306 | 0.94 | CYP1A2 (0.42) | CYP1A2EPHX1LSSPKMTLR4 | |
| SCHEMBL19722643 | 0.94 | CYP1A2 (0.42) | CYP1A2EPHX1LSSPKMTLR4 |
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-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0047817-A2 | Hydrogenated naphthalines, their preparation and application, and mixtures containing such naphthalines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-24 | — | — | EP | disclosed |