Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 9/20 | 0.47 |
| ▸ | NOS1 | P29475 | 9/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | MDM4 | O15151 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TERT | O14746 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426777 | 0.81 | NOS3 (0.39) | NOS3NOS1MDM4PPARGMEN1 | |
| SCHEMBL6638692 | 0.77 | GRM5 (0.48) | FFAR1CYP19A1MEN1KMT2AMAOB | |
| SCHEMBL6635662 | 0.71 | MDM4 (0.43) | NOS3NOS1MDM4KMT2A | |
| SCHEMBL28585633 | 0.70 | CYSLTR1 (0.57) | FFAR1MEN1LMNAKMT2A | |
| SCHEMBL6636319 | 0.70 | CYP3A4 (0.52) | FFAR1PPARGCYP3A4MEN1KMT2A | |
| SCHEMBL7394379 | 0.70 | SMN1; SMN2 (0.48) | CYP3A4MEN1LMNAKMT2A | |
| SCHEMBL7394384 | 0.68 | SMN1; SMN2 (0.56) | CYP3A4MEN1LMNAKMT2A | |
| SCHEMBL5522979 | 0.66 | NOS3 (0.50) | NOS3NOS1FFAR1CYP3A4MAOB | |
| SCHEMBL6639402 | 0.66 | POLB (0.61) | NOS3NOS1MDM4MEN1LMNA | |
| SCHEMBL10607508 | 0.65 | CYSLTR1 (0.71) | FFAR1MAOB |
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 |