Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22277958 | 0.81 | EPHX1 (0.52) | TDP1EPHX1CYP2C19GRM4CYP2D6 | |
| SCHEMBL22644899 | 0.79 | KDM4E (0.33) | TDP1EPHX1CYP2C19GRM4CYP2D6 | |
| SCHEMBL13444992 | 0.78 | TDP1 (0.48) | TDP1EPHX1CYP2C19GRM4CYP2D6 | |
| SCHEMBL13544590 | 0.75 | POLB (0.42) | TSHRPOLBTAAR1 | |
| SCHEMBL7677400 | 0.72 | POLB (0.51) | EPHX1GRM4POLBALDH1A1TAAR1 | |
| SCHEMBL3739915 | 0.72 | EPHX1 (0.72) | TDP1EPHX1CYP2C19CYP3A4POLB | |
| SCHEMBL4396576 | 0.71 | CYP2D6 (0.63) | TDP1EPHX1CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL4396572 | 0.71 | CYP2D6 (0.63) | TDP1EPHX1CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL217411 | 0.71 | — | — | |
| SCHEMBL16349314 | 0.69 | GABRR1 (0.53) | CYP2C19GRM4CYP2D6CYP2C9TSHR |
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-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |