Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 5/20 | 0.40 |
| ▸ | MAOA | P21397 | 4/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29031641 | 0.74 | SLC18A3 (0.44) | KDM1AMAOAMAOBAKR1C3AKR1C1 | |
| SCHEMBL27595076 | 0.73 | SLC18A3 (0.45) | ALDH1A1AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL31602256 | 0.71 | TRPA1 (0.56) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL31602257 | 0.71 | TRPA1 (0.56) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL27490386 | 0.70 | AKR1C3 (0.50) | ALDH1A1AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL13823143 | 0.69 | TRPA1 (0.41) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL28941657 | 0.68 | SLC18A3 (0.50) | TRPA1ALDH1A1AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL27774521 | 0.68 | SLC18A3 (0.51) | TRPA1ALDH1A1AKR1C3AKR1C1SLC18A3 | |
| SCHEMBL13966486 | 0.68 | — | — | |
| SCHEMBL7128350 | 0.67 | AKR1C3 (0.50) | AKR1C3AKR1C1SLC18A3SIGMAR1 |
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-101128554-A | Highly functional, highly branched or hyperbranched polycarbonates, their preparation and use | BASF AG (DE) | 2008-02-20 | — | — | CN | disclosed |