Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL951484 | 1.00 | GRK2 (0.51) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL951614 | 0.99 | GRK2 (0.53) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL4659077 | 0.99 | GRK2 (0.53) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| SCHEMBL12602253 | 0.90 | GRK2 (0.53) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| SCHEMBL951542 | 0.90 | GRK2 (0.53) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| SCHEMBL4659087 | 0.90 | GRK2 (0.53) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL951179 | 0.89 | GRK2 (0.55) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| Hydrochloric Acid SCHEMBL4659105 | 0.89 | GRK2 (0.55) | GRK2CYP3A4SLC6A4TP53CYP1A2 | |
| SCHEMBL951533 | 0.83 | TACR1 (0.52) | CYP3A4SLC6A4TP53CYP1A2CYP2D6 | |
| SCHEMBL951535 | 0.83 | TACR1 (0.52) | CYP3A4SLC6A4TP53CYP1A2CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2004605-A1 | PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-24 | — | — | EP | claimed |
| WO-2007113153-A1 | PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-11 | — | — | WO | claimed |
| EP-2004605-A1 | PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007113153-A1 | PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-11 | — | — | WO | disclosed |