Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 9/20 | 0.62 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2709699 | 0.82 | HTR3A (0.63) | HTR3A | |
| Hydrochloric Acid SCHEMBL29689100 | 0.81 | HTR3A (0.62) | HTR3A | |
| SCHEMBL6771623 | 0.79 | HTR3A (0.62) | HTR3AHTR3EKDM4EHTR3BALDH1A1 | |
| SCHEMBL6777038 | 0.77 | HTR3A (0.58) | HTR3A | |
| SCHEMBL6771824 | 0.77 | CYP1A2 (0.56) | HTR3AALDH1A1CYP1A2 | |
| SCHEMBL5512679 | 0.77 | HTR3A (0.71) | HTR3ASOS1 | |
| Lerisetron SCHEMBL141124 | 0.75 | HTR3A (1.00) | HTR3ASOS1 | |
| SCHEMBL7432371 | 0.75 | HTR3A (0.74) | HTR3AKDM4EMAPK1 | |
| Lerisetron SCHEMBL30669539 | 0.75 | HTR3A (1.00) | HTR3ASOS1 | |
| SCHEMBL7431298 | 0.74 | HTR3A (1.00) | HTR3ASOS1CYP3A4 |
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-1222185-A1 | TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-07-17 | — | — | EP | disclosed |
| WO-2001029029-A1 | TETRAHYDROBENZINDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT7 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-26 | — | — | WO | disclosed |