Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Cycloheptane SCHEMBL28304417 | 0.97 | OPRM1 (0.48) | OPRM1LMNASPHK1DNM1TSHR | |
| SCHEMBL28843362 | 0.97 | OPRM1 (0.48) | OPRM1LMNASPHK1DNM1TSHR | |
| Cyclopentane SCHEMBL28185611 | 0.97 | OPRM1 (0.48) | OPRM1LMNASPHK1DNM1TSHR | |
| Cyclohexane SCHEMBL28440476 | 0.92 | OPRM1 (0.44) | OPRM1LMNACA1SPHK1TP53 | |
| Cyclohexane SCHEMBL5807464 | 0.91 | LMNA (0.43) | OPRM1LMNADNM1TSHRTHRB | |
| Cyclohexane SCHEMBL18394547 | 0.91 | LMNA (0.43) | OPRM1LMNADNM1TSHRTHRB | |
| SCHEMBL27784606 | 0.91 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| SCHEMBL27976941 | 0.91 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| Hexane SCHEMBL1303513 | 0.91 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| SCHEMBL23993 | 0.91 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111592492-A | Method for improving quality of caprolactam product subjected to liquid phase Beckmann rearrangement | 中国石油化工股份有限公司 | 2020-08-28 | — | — | CN | disclosed |
| US-20050288407-A1 | Thermally stabilized polycarbonate composition | BAYER MATERIALSCIENCE AG | 2005-12-29 | — | — | US | disclosed |
| US-4251541-A | ANTIDEPRESSANTS | A. H. ROBINS COMPANY, INC. (US) | 1981-02-17 | — | — | US | disclosed |