Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 7/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 4/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8959510 | 1.00 | ICMT (0.45) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL9234274 | 0.86 | HTR2C (0.54) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL8959735 | 0.83 | HTR2A (0.41) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL8959726 | 0.83 | HTR2A (0.41) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959846 | 0.81 | HTR2A (0.46) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL8959840 | 0.81 | HTR2A (0.46) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL27359202 | 0.81 | HTR2A (0.46) | ICMTHTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL8959663 | 0.78 | ICMT (0.48) | ICMTKCNH2 | |
| SCHEMBL8959653 | 0.78 | ICMT (0.48) | ICMTKCNH2 | |
| SCHEMBL8959664 | 0.73 | ICMT (0.40) | ICMTHTR2AHTR2CKCNH2KDM4E |
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 3 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 | 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 |