Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28096453 | 0.82 | TDP1 (0.37) | MMP2MMP9CYP2D6 | |
| SCHEMBL16763544 | 0.82 | TAAR1 (0.40) | OPRM1MMP2MMP9MMECYP2D6 | |
| Hydrochloric Acid SCHEMBL29041993 | 0.72 | OPRM1 (0.38) | OPRM1MMP2MMP9MMECYP1A2 | |
| SCHEMBL28096354 | 0.71 | CNR1 (0.39) | OPRM1CNR1MMP2MMP9KMT2A | |
| Ethoxycarbonyl Group SCHEMBL27724412 | 0.71 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28096701 | 0.71 | OPRM1 (0.33) | OPRM1 | |
| Ethoxycarbonyl Group SCHEMBL28107027 | 0.70 | OPRM1 (0.32) | OPRM1CYP1A2 | |
| Piperazine SCHEMBL6095219 | 0.69 | HIF1A (0.32) | — | |
| SCHEMBL2342324 | 0.69 | TAAR1 (0.46) | OPRM1 | |
| Ethoxycarbonyl Group SCHEMBL23358204 | 0.69 | TSHR (0.33) | OPRM1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105960404-B | The inhibitor of bruton's tyrosine kinase | 药品循环有限责任公司 | 2019-09-03 | — | — | CN | disclosed |
| CN-105960404-A | Inhibitors of bruton's tyrosine kinase | 药品循环有限责任公司 | 2016-09-21 | — | — | CN | disclosed |