Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 2/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.39 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL18818312 | 1.00 | TRPV1 (0.47) | TRPV1PDE10ATLR2EPHX2GAA | |
| SCHEMBL17748971 | 0.93 | MAPK1 (0.43) | TRPV1PDE10AEPHX2P2RX7 | |
| SCHEMBL30047267 | 0.79 | PDE4A (0.52) | EPHX2 | |
| SCHEMBL3375614 | 0.79 | PDE4A (0.52) | EPHX2 | |
| SCHEMBL3375618 | 0.79 | PDE4A (0.52) | EPHX2 | |
| SCHEMBL30468602 | 0.79 | PDE4A (0.52) | EPHX2 | |
| SCHEMBL18818309 | 0.79 | KDM1A (0.39) | EPHX2GAAKDM1AMAOBCKS1B | |
| SCHEMBL24619628 | 0.76 | KDM4E (0.41) | TRPV1EPHX2GAAKDM1AMAOB | |
| SCHEMBL8783364 | 0.76 | EPHX2 (0.51) | EPHX2KDM1AMAOBCKS1BSKP1 | |
| SCHEMBL13573583 | 0.75 | TAS1R3 (0.46) | TRPV1EPHX2GAAKDM1AMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3368529-B1 | HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2022-04-06 | — | — | EP | disclosed |