Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 14/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8032926 | 0.87 | F2 (0.98) | F2ALDH1A1PKMST14BRD4 | |
| SCHEMBL6636091 | 0.87 | F2 (0.77) | F2ALDH1A1PKMST14BRD4 | |
| SCHEMBL6634125 | 0.86 | F2 (0.58) | F2ALDH1A1PKMBRD4MEN1 | |
| Hydrochloric Acid SCHEMBL8031754 | 0.84 | F2 (0.75) | F2ALDH1A1PKMST14BRD4 | |
| SCHEMBL6640458 | 0.83 | F2 (0.74) | F2ALDH1A1PKMST14BRD4 | |
| SCHEMBL6638878 | 0.83 | F2 (0.78) | F2ALDH1A1PKMST14BRD4 | |
| SCHEMBL6638455 | 0.81 | F2 (0.80) | F2HDAC6 | |
| Hydrochloric Acid SCHEMBL7984494 | 0.81 | F2 (0.80) | F2 | |
| SCHEMBL6635733 | 0.78 | F2 (0.67) | F2ALDH1A1HDAC6 | |
| Hydrochloric Acid SCHEMBL8026588 | 0.77 | F2 (0.74) | F2ALDH1A1ST14MEN1KMT2A |
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 |