Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | RARB | P10826 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508533 | 0.97 | CYP2D6 (0.54) | CYP2D6CYP3A4RARBKDM4EL3MBTL1 | |
| SCHEMBL8376570 | 0.95 | NR5A1 (0.53) | CYP2D6KDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8519007 | 0.93 | NR5A1 (0.56) | CYP2D6KDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8377181 | 0.92 | TSHR (0.55) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL7176783 | 0.92 | CYP2D6 (0.59) | CYP2D6CYP3A4RARBALDH1A1HPGD | |
| SCHEMBL9512559 | 0.90 | MCHR1 (0.51) | CYP2D6CYP3A4L3MBTL1TSHRMCHR1 | |
| SCHEMBL10521831 | 0.88 | MCHR1 (0.52) | CYP2D6CYP3A4RARBKDM4EALDH1A1 | |
| SCHEMBL5169009 | 0.86 | NR5A1 (0.62) | CYP2D6KDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8379631 | 0.84 | CYP1A2 (0.51) | CYP2D6L3MBTL1TSHRCYP2C19CYP1A2 | |
| SCHEMBL24398901 | 0.84 | NR5A1 (0.66) | CYP2D6RARBL3MBTL1HTTTSHR |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |