Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 2/20 | 0.58 |
| ▸ | TACR1 | P25103 | 2/20 | 0.58 |
| ▸ | TACR3 | P29371 | 2/20 | 0.58 |
| ▸ | CCR5 | P51681 | 2/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 11/20 | 0.56 |
| ▸ | OPRL1 | P41146 | 5/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.51 |
| ▸ | GMNN | O75496 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8560042 | 0.81 | TACR2 (0.62) | TACR2TACR1TACR3CCR5OPRM1 | |
| Hydrochloric Acid SCHEMBL8593049 | 0.76 | CCR3 (0.42) | TACR1MEN1SLC6A2SLC6A4KMT2A | |
| SCHEMBL8558380 | 0.75 | HPGD (0.40) | TACR2TACR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8556339 | 0.74 | TACR1 (0.58) | TACR2TACR1TACR3MEN1ADRA2A | |
| SCHEMBL7842031 | 0.74 | TACR1 (1.00) | TACR2TACR1TACR3CCR5OPRM1 | |
| SCHEMBL24709114 | 0.72 | CYP2D6 (0.74) | OPRM1OPRL1OPRK1CYP2D6PMP22 | |
| SCHEMBL31000422 | 0.72 | CYP2D6 (0.74) | OPRM1OPRL1OPRK1CYP2D6PMP22 | |
| SCHEMBL3665096 | 0.72 | OPRM1 (1.00) | OPRM1OPRL1OPRK1CYP3A4DRD2 | |
| SCHEMBL5984495 | 0.72 | CYP2D6 (0.85) | OPRM1OPRL1OPRK1CYP2D6PMP22 | |
| SCHEMBL24708725 | 0.71 | CHRM1 (0.73) | OPRM1OPRL1OPRK1CYP2D6PMP22 |
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-5807865-A | 3,3-disubstituted piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1998-09-15 | — | — | US | disclosed |