Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 6/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 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 | |
|---|---|---|---|---|
| SCHEMBL19968374 | 0.77 | CHRNB2 (0.37) | CHRNB2CHRNA4CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL13573664 | 0.76 | — | — | |
| SCHEMBL14985138 | 0.76 | HDAC8 (0.42) | CHRNB2CHRNA4CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL17039130 | 0.73 | LOXL2 (0.47) | LOXL2 | |
| SCHEMBL7052162 | 0.73 | CYP2A6 (0.68) | CHRNB2CHRNA4CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL13765866 | 0.72 | GRM5 (0.35) | GRM5LOXL2GABRA1GABRG2GABRB3 | |
| SCHEMBL8574111 | 0.71 | CHRNB2 (0.37) | CHRNB2CHRNA4CYP2A6CYP2B6CYP2C19 | |
| SCHEMBL17036555 | 0.71 | HRH3 (0.38) | CYP2D6GRM5LOXL2HAO1 | |
| SCHEMBL16077761 | 0.71 | GRM5 (0.35) | CYP2A6GRM5LOXL2HAO1 | |
| SCHEMBL17050214 | 0.67 | GRM5 (0.48) | CHRNB2CHRNA4CYP2A6CYP2B6CYP2C19 |
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-3110418-B1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS | ACHILLION PHARMACEUTICALS INC (US) | 2019-11-06 | — | — | EP | disclosed |