Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29203386 | 0.85 | OPRM1 (0.55) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL4630573 | 0.80 | OPRM1 (0.63) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL989783 | 0.79 | OPRM1 (0.61) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL6636176 | 0.79 | OPRM1 (0.61) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL9231786 | 0.79 | OPRM1 (0.61) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL14902471 | 0.78 | OPRM1 (0.60) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL16915778 | 0.77 | OPRM1 (0.58) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL30328950 | 0.76 | OPRM1 (0.55) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL15325219 | 0.76 | OPRM1 (0.57) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL3893581 | 0.76 | OPRM1 (0.57) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 |
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-108602823-A | As deubiquitinating enzymes（DUB）The spiral shell of inhibitor-condensation pyrrolidin derivatives | 特殊治疗有限公司 | 2018-09-28 | — | — | CN | disclosed |