Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL18483428 | 0.85 | KDR (0.40) | KDRWNT3ATRPV1CCNE2CDK4 | |
| SCHEMBL22271057 | 0.79 | TRPV1 (0.43) | TRPV1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL22270626 | 0.79 | KDR (0.35) | KDRWNT3ATRPV1RAB9ANPC1 | |
| SCHEMBL22271081 | 0.76 | RORC (0.44) | WNT3ATRPV1 | |
| SCHEMBL29470979 | 0.75 | NPSR1 (0.42) | RAB9AALDH1A1NPC1SMN1; SMN2LMNA | |
| SCHEMBL26382379 | 0.75 | WNT3A (0.47) | WNT3ATRPV1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL18483362 | 0.74 | ALDH1A1 (0.38) | TRPV1CDK2ALDH1A1PDE10A | |
| SCHEMBL22271025 | 0.74 | FFAR1 (0.37) | ADRB2ADRB1ADRB3 | |
| SCHEMBL21133947 | 0.74 | RORC (0.44) | WNT3ATRPV1NPC1LMNA | |
| SCHEMBL29471013 | 0.74 | RORC (0.46) | WNT3ATRPV1 |
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-3686187-A1 | PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS | Glenmark Pharmaceuticals S.A. (CH) | 2020-07-29 | — | — | EP | disclosed |