Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836402 | 0.72 | CYP3A4 (0.39) | OPRM1OPRL1SLC6A9GAACYP3A4 | |
| SCHEMBL27777593 | 0.70 | GRIN2D (0.41) | OPRM1OPRL1SLC6A9LMNAGAA | |
| SCHEMBL8452213 | 0.68 | USP2 (0.39) | OPRM1OPRL1SLC6A9LMNACYP3A4 | |
| SCHEMBL22455050 | 0.68 | AR (0.47) | OPRM1OPRL1SLC6A9LMNACYP3A4 | |
| SCHEMBL28286498 | 0.68 | USP2 (0.39) | OPRM1OPRL1SLC6A9LMNACYP3A4 | |
| SCHEMBL2899064 | 0.67 | CYP3A4 (0.40) | OPRM1OPRL1SLC6A9CYP3A4CYP2C19 | |
| SCHEMBL28193878 | 0.66 | FFAR1 (0.38) | OPRM1OPRL1SLC6A9LMNACYP3A4 | |
| SCHEMBL15059997 | 0.66 | FFAR1 (0.44) | CYP3A4CYP2C19USP2ALDH1A1CYP2D6 | |
| SCHEMBL2733709 | 0.64 | NR1H2 (0.52) | OPRM1OPRL1SLC6A9LMNACYP3A4 | |
| SCHEMBL2733711 | 0.64 | NR1H2 (0.52) | OPRM1OPRL1SLC6A9LMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107849044-A | Thriazaspiro last of the ten Heavenly stems ketone compounds as DDR1 inhibitor | 豪夫迈·罗氏有限公司 | 2018-03-27 | — | — | CN | disclosed |