Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 19/20 | 1.00 |
| ▸ | HTR2A | P28223 | 17/20 | 1.00 |
| ▸ | HTR2B | P41595 | 3/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 1/20 | 1.00 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL255454 | 1.00 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| SCHEMBL8959930 | 1.00 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| SCHEMBL29368348 | 1.00 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| SCHEMBL9232946 | 0.94 | HTR2C (1.00) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959707 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959674 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959555 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959718 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959565 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959682 | 0.89 | HTR2C (0.79) | HTR2CHTR2AHTR2BCYP1A2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1061341-C | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 2001-01-31 | — | — | CN | claimed |
| 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 |