Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL9512440 | 0.97 | CYP2D6 (0.51) | CYP2D6CYP3A4TSHRMCHR1CYP2C19 | |
| SCHEMBL8377181 | 0.95 | TSHR (0.55) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL9512559 | 0.93 | MCHR1 (0.51) | CYP2D6CYP3A4TSHRMCHR1CYP2C19 | |
| SCHEMBL8376570 | 0.91 | NR5A1 (0.53) | CYP2D6TSHRCYP2C19CYP1A2FAAH | |
| SCHEMBL8519007 | 0.90 | NR5A1 (0.56) | CYP2D6TSHRCYP2C19CYP1A2FAAH | |
| SCHEMBL8379631 | 0.87 | CYP1A2 (0.51) | CYP2D6TSHRCYP2C19CYP1A2FAAH | |
| SCHEMBL7176783 | 0.87 | CYP2D6 (0.59) | CYP2D6CYP3A4TSHRCYP2C19CYP19A1 | |
| SCHEMBL9511470 | 0.86 | NQO1 (0.52) | CYP2D6TSHRMCHR1CYP2C19CYP1A2 | |
| SCHEMBL10521831 | 0.85 | MCHR1 (0.52) | CYP2D6CYP3A4TSHRMCHR1CYP2C19 | |
| SCHEMBL4270834 | 0.85 | TSHR (0.64) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 |
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 |