Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | HTR3A | P46098 | 1/20 | 0.67 |
| ▸ | BACE1 | P56817 | 1/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CAMK2A | Q9UQM7 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30182723 | 0.87 | TAAR1 (0.52) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Trifluoroacetic Acid SCHEMBL7859231 | 0.85 | TAAR1 (0.67) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Tyramine SCHEMBL11586610 | 0.85 | TAAR1 (0.67) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Phenethylamine SCHEMBL20239925 | 0.85 | TAAR1 (0.64) | TAAR1CYP2A6HTR2ASMN1; SMN2LOXL2 | |
| Tyramine SCHEMBL5898804 | 0.84 | TAAR1 (0.95) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Trifluoroacetic Acid SCHEMBL29484054 | 0.84 | TAAR1 (0.64) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Trifluoroacetic Acid SCHEMBL29484053 | 0.84 | TAAR1 (0.64) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Tyramine SCHEMBL9616224 | 0.82 | TAAR1 (0.75) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Tyramine SCHEMBL28645404 | 0.82 | TAAR1 (0.90) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| Tyramine SCHEMBL134515 | 0.82 | TAAR1 (1.00) | TAAR1KDM4EALDH1A1HTR1AADRA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042287-B1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | AVENTIS PHARMA GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| US-6337344-B1 | ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-08 | — | — | US | disclosed |
| EP-1042287-A1 | INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA | Aventis Pharma Deutschland GmbH (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033800-A1 | INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-07-08 | — | — | WO | disclosed |