Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4496711 | 0.99 | TACR1 (0.59) | TACR1CYP3A4CYP2D6CYP2C9TP53 | |
| Hydrochloric Acid SCHEMBL4496714 | 0.99 | TACR1 (0.59) | TACR1CYP3A4CYP2D6CYP2C9TP53 | |
| Hydrochloric Acid SCHEMBL4496706 | 0.99 | TACR1 (0.59) | TACR1CYP3A4CYP2D6CYP2C9TP53 | |
| SCHEMBL4474027 | 0.90 | TACR1 (0.58) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4483149 | 0.90 | TACR1 (0.67) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4474033 | 0.90 | TACR1 (0.58) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4483139 | 0.90 | TACR1 (0.67) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4483142 | 0.90 | TACR1 (0.67) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4474037 | 0.90 | TACR1 (0.58) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13630100 | 0.89 | TACR1 (0.55) | TACR1CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622487-B2 | Piperidine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-24 | — | — | US | disclosed |