Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28208492 | 0.87 | CA1 (0.50) | TAAR1CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL15883199 | 0.81 | ALDH1A1 (0.55) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL11664862 | 0.81 | TAAR1 (0.49) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL3821152 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP2C19ATMALDH1A1CA1 | |
| SCHEMBL3860721 | 0.79 | TAAR1 (0.47) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| Hydrochloric Acid SCHEMBL30144043 | 0.78 | TAAR1 (0.46) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| Hydrochloric Acid SCHEMBL11901803 | 0.78 | TAAR1 (0.46) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL14017796 | 0.76 | ATM (0.47) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL11659570 | 0.76 | TAAR1 (0.45) | TAAR1CYP3A4CYP1A2CYP2C19ATM | |
| SCHEMBL24834185 | 0.76 | ATM (0.48) | TAAR1CYP3A4CYP1A2CYP2C19ATM |
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-1960355-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007062996-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | disclosed |