Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 10/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 6/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6778506 | 0.81 | ADORA2A (0.40) | ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL7679451 | 0.80 | KDM5A (0.42) | NTRK1NTRK2 | |
| SCHEMBL7160505 | 0.78 | NTRK1 (0.39) | GAAPOLBNTRK1NTRK2MAPT | |
| SCHEMBL7168040 | 0.78 | VNN1 (0.37) | ALDH1A1GAANTRK1NTRK2KDM4E | |
| SCHEMBL6638588 | 0.78 | GAA (0.44) | ALDH1A1GAASMN1; SMN2POLBKDM4E | |
| SCHEMBL6633880 | 0.73 | F2 (0.49) | ALDH1A1GAAPOLBMEN1KMT2A | |
| SCHEMBL6634916 | 0.73 | GAA (0.43) | ALDH1A1GAASMN1; SMN2POLBNTRK1 | |
| SCHEMBL6633568 | 0.72 | ADRA1D (0.39) | — | |
| SCHEMBL8108669 | 0.72 | RAB9A (0.44) | GAASMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL6158462 | 0.71 | NTRK1 (0.52) | ALDH1A1GAASMN1; SMN2NTRK1NTRK2 |
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 |