Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.42 |
| ▸ | RHOC | P08134 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258355 | 0.73 | ADRB2 (0.39) | ADRB2SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL1035119 | 0.72 | PPIA (0.42) | ADRB2SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL6122137 | 0.71 | NAMPT (0.57) | — | |
| SCHEMBL7972011 | 0.70 | SLC6A2 (0.37) | ADRB2SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL8824360 | 0.70 | TACR1 (0.63) | TACR1SLC6A4 | |
| Hydrochloric Acid SCHEMBL9391402 | 0.70 | TACR1 (0.61) | TACR1SLC6A4 | |
| SCHEMBL6180854 | 0.70 | CHRM3 (0.47) | — | |
| SCHEMBL9189915 | 0.69 | TACR1 (0.58) | TACR1SLC6A4 | |
| SCHEMBL5168846 | 0.68 | GRM2 (0.37) | ADRB2SLC6A4SLC6A2SLC6A3CYP2D6 | |
| SCHEMBL743634 | 0.68 | CCR2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007053495-A2 | COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-05-10 | — | — | WO | disclosed |