Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 11/20 | 0.38 |
| ▸ | MAOA | P21397 | 10/20 | 0.38 |
| ▸ | MAOB | P27338 | 10/20 | 0.38 |
| ▸ | F2 | P00734 | 4/20 | 0.38 |
| ▸ | F10 | P00742 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL28653752 | 0.69 | OPRM1 (0.46) | TRPA1KDM1AMAOAMAOB | |
| SCHEMBL9067468 | 0.69 | TRPA1 (0.46) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| SCHEMBL7254284 | 0.68 | TRPA1 (0.53) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| SCHEMBL6023453 | 0.67 | TRPA1 (0.43) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| SCHEMBL6023457 | 0.67 | TRPA1 (0.43) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| SCHEMBL1085761 | 0.66 | MAOB (0.43) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| SCHEMBL7397920 | 0.65 | AKR1C3 (0.46) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| Carbamic Acid SCHEMBL9679981 | 0.64 | AKR1C3 (0.59) | KDM4ESLC18A3SIGMAR1 | |
| SCHEMBL11358207 | 0.64 | TRPA1 (0.49) | TRPA1KDM1AMAOAMAOBSLC18A3 | |
| Hydrogen Peroxide SCHEMBL2353767 | 0.64 | SLC18A3 (0.64) | SLC18A3SIGMAR1KMT2ABLM |
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-110461838-A | oxadiazole transient receptor potential channel inhibitors | HOFFMANN LA ROCHE | 2019-11-15 | — | — | CN | disclosed |