Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28959883 | 0.78 | LIPG (0.48) | NR1H2NR1H3 | |
| SCHEMBL21427532 | 0.76 | EP300 (0.53) | ALDH1A1CHRM2NR1H2NR1H3 | |
| SCHEMBL6546844 | 0.72 | CD274 (0.43) | CYP2D6NR1H2NR1H3 | |
| SCHEMBL3008829 | 0.71 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1TSHRCHRM2CYP1A2 | |
| SCHEMBL4802023 | 0.71 | SIGMAR1 (0.54) | SIGMAR1KMT2ASLC2A1 | |
| SCHEMBL30692269 | 0.70 | MPO (0.59) | SIGMAR1TSHRHTR1A | |
| SCHEMBL21243264 | 0.69 | SIGMAR1 (0.55) | SIGMAR1CHRM2DRD2CYP2D6 | |
| SCHEMBL21243262 | 0.68 | MPO (0.45) | SIGMAR1CHRM2DRD2 | |
| SCHEMBL28168607 | 0.68 | GABRA1 (0.46) | TSHR | |
| SCHEMBL9839875 | 0.68 | GABRA1 (0.50) | HTR1A |
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-2017066227-A1 | COMPOUNDS USEFUL AS IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-20 | — | — | WO | disclosed |