Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.34 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | PER2 | O15055 | 1/20 | 0.34 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.34 |
| ▸ | CRY2 | Q49AN0 | 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 | |
|---|---|---|---|---|
| SCHEMBL5036230 | 0.67 | KDM4E (0.51) | MCHR1KCNN4KCNA5GRM5PDCD1 | |
| SCHEMBL2092641 | 0.67 | PGR (0.46) | MCHR1KCNN4KCNA5GRM5KMT2A | |
| SCHEMBL7361741 | 0.67 | KCNN4 (0.40) | S1PR1KCNN4KCNA5KMT2APDCD1 | |
| SCHEMBL4587683 | 0.66 | KCNN4 (0.45) | S1PR1MCHR1KCNN4KCNA5GRM5 | |
| SCHEMBL7361738 | 0.66 | F2 (0.42) | MCHR1KCNN4KCNA5MEP1AMEP1B | |
| SCHEMBL7361865 | 0.66 | GPR139 (0.41) | KCNA5 | |
| SCHEMBL6979204 | 0.65 | MAOB (0.46) | S1PR1MCHR1KCNN4KCNA5MEP1A | |
| SCHEMBL7652541 | 0.65 | KCNA5 (0.52) | S1PR1KCNN4KCNA5GRM5KMT2A | |
| SCHEMBL5885665 | 0.65 | PDCD1 (0.42) | S1PR1KCNN4KCNA5CACNA1FCACNA1D | |
| SCHEMBL21776422 | 0.65 | KMT2A (0.46) | MCHR1KCNN4KCNA5GRM5KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5942544-A | α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-08-24 | — | — | US | disclosed |