Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.63 |
| ▸ | HTR2C | P28335 | 7/20 | 0.63 |
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | ICMT | O60725 | 4/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8959502 | 0.87 | HTR2A (0.51) | HTR2AHTR2CHTR6KMOICMT | |
| Fumaric Acid SCHEMBL8959509 | 0.87 | HTR2A (0.51) | HTR2AHTR2CHTR6KMOICMT | |
| SCHEMBL8959894 | 0.78 | HTR2C (1.00) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959504 | 0.78 | HTR2C (1.00) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959492 | 0.74 | HTR2C (0.74) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959770 | 0.74 | HTR2C (0.74) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959495 | 0.74 | HTR2C (0.74) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29324209 | 0.72 | HTR6 (0.50) | HTR2AHTR2CHTR6ICMT | |
| SCHEMBL8959527 | 0.70 | HTR2A (0.59) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5917442 | 0.69 | HTR2C (0.66) | HTR2AHTR2CCYP1A2CYP3A4CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1105988-A | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | CN | claimed |
| EP-0655440-A2 | 1-Aminoethylindoles | F. HOFFMANN-LA ROCHE AG (CH) | 1995-05-31 | — | — | EP | claimed |
| CN-1061341-C | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 2001-01-31 | — | — | CN | disclosed |
| US-5494928-A | FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| CN-1105988-A | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | CN | disclosed |
| EP-0655440-A2 | 1-Aminoethylindoles | F. HOFFMANN-LA ROCHE AG (CH) | 1995-05-31 | — | — | EP | disclosed |