Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6634239 | 0.79 | TYMS (0.48) | TYMSPDE10ACASP3MEN1KMT2A | |
| SCHEMBL6638692 | 0.76 | GRM5 (0.48) | PDCD1CD274GRM5FFAR1CYP19A1 | |
| SCHEMBL8109356 | 0.72 | GRM5 (0.43) | PDCD1CD274GRM5FFAR1SMN1; SMN2 | |
| SCHEMBL21067769 | 0.69 | ADORA2A (0.56) | TYMSGRM4GRM1 | |
| SCHEMBL30010206 | 0.65 | PDCD1 (0.70) | PDCD1CD274GRM5 | |
| SCHEMBL28590561 | 0.65 | PDCD1 (0.70) | PDCD1CD274GRM5 | |
| SCHEMBL28585633 | 0.65 | CYSLTR1 (0.57) | FFAR1PDE10AMEN1KMT2ARAB9A | |
| SCHEMBL6635658 | 0.65 | NOS3 (0.47) | FFAR1CYP19A1MEN1KMT2A | |
| SCHEMBL23516175 | 0.64 | TYMS (0.42) | PDCD1CD274TYMSCASP3MEN1 | |
| SCHEMBL10607508 | 0.63 | CYSLTR1 (0.71) | FFAR1PDE10A |
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 |