Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | STS | P08842 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | OXTR | P30559 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 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 | |
|---|---|---|---|---|
| SCHEMBL6635794 | 0.90 | F2 (0.51) | F2ALDH1A1HTTKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL6636092 | 0.81 | F2 (0.56) | F2 | |
| SCHEMBL6976662 | 0.80 | F2 (0.60) | F2ALDH1A1HTTPOLBNPSR1 | |
| SCHEMBL6635719 | 0.78 | ALDH1A1 (0.40) | F2ALDH1A1HTTKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL7361185 | 0.76 | F2 (0.66) | F2ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL6635405 | 0.75 | F2 (0.78) | F2ALDH1A1HPGDSMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL8016304 | 0.75 | F2 (0.76) | F2ALDH1A1HPGDMAPT | |
| SCHEMBL8027337 | 0.75 | F2 (1.00) | F2 | |
| SCHEMBL7424644 | 0.75 | F2 (0.83) | F2 | |
| SCHEMBL8124847 | 0.75 | F2 (0.69) | F2ALDH1A1HTTHPGDSMN1; SMN2 |
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 |