Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5090604 | 0.72 | HSP90AA1 (0.45) | KCNA5TRPM8SLC18A3MAPK1TSHR | |
| SCHEMBL18835202 | 0.71 | TSHR (0.40) | TRPM8SIGMAR1MAPK1TSHR | |
| SCHEMBL18192796 | 0.69 | CNR1 (0.36) | TRPM8SLC18A3MMP9TSHRNPC1 | |
| SCHEMBL8428737 | 0.69 | TRPM8 (0.51) | TRPM8CHRM3CHRM2OPRM1EPHX2 | |
| SCHEMBL18192793 | 0.69 | CNR1 (0.36) | TRPM8SLC18A3MMP9TSHRNPC1 | |
| SCHEMBL18259085 | 0.69 | CNR1 (0.36) | TRPM8SLC18A3MMP9TSHRNPC1 | |
| SCHEMBL11341305 | 0.68 | SIGMAR1 (0.45) | TRPM8SIGMAR1EPHX2 | |
| SCHEMBL11437590 | 0.68 | MEN1 (0.43) | KCNA5TRPM8CHRM3CHRM2SLC18A3 | |
| Acetic Acid SCHEMBL28306148 | 0.68 | SLC18A3 (0.44) | KCNA5TRPM8SLC18A3NPC1RAB9A | |
| SCHEMBL5994089 | 0.68 | ALDH1A1 (0.68) | TRPM8CHRM3CHRM2OPRM1EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9409855-B2 | Asymmetric synthesis of (−)-venlafaxine using organocatalyst | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-08-09 | — | — | US | disclosed |
| US-20150175524-A1 | ASYMMETRIC SYNTHESIS OF (-)-VENLAFAXINE USING ORGANOCATALYST | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-06-25 | — | — | US | disclosed |