Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 5/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635662 | 0.77 | MDM4 (0.43) | KMT2ATRPV1GRM2 | |
| SCHEMBL6638692 | 0.77 | GRM5 (0.48) | KMT2AMEN1PGRGRM5 | |
| SCHEMBL6637931 | 0.73 | KMT2A (0.56) | KMT2AMEN1 | |
| SCHEMBL11520347 | 0.69 | PGR (0.63) | KMT2AMEN1PGRARNR1H3 | |
| SCHEMBL6638383 | 0.69 | KMT2A (0.50) | KMT2AMEN1NR1H3 | |
| SCHEMBL20157572 | 0.63 | TDP1 (0.45) | TOP2ATOP2BPGRARNR1H3 | |
| SCHEMBL10760985 | 0.63 | ESR1 (0.41) | KMT2AMEN1PGR | |
| SCHEMBL21067769 | 0.62 | ADORA2A (0.56) | PGRGRM1GRM4 | |
| SCHEMBL29870828 | 0.62 | GRM5 (0.54) | KMT2AMEN1GRM5NR1H3 | |
| SCHEMBL16113584 | 0.62 | GRM5 (0.54) | KMT2AMEN1GRM5NR1H3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1100795-B1 | DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-06-09 | — | — | EP | disclosed |
| US-6121308-A | INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBONYLMETHYL) -QUINOLINE-8-SULPHONYLAMINO)-INDOLE | BOEHRINGER INGELHEIM KG (DE) | 2000-09-19 | — | — | US | disclosed |