Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 6/20 | 0.44 |
| ▸ | PNMT | P11086 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19406939 | 0.85 | PNMT (0.44) | MLNRPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL19406883 | 0.74 | PNMT (0.56) | PNMTADRA2AADRA2BADRA2CDRD2 | |
| SCHEMBL19406941 | 0.74 | PNMT (0.38) | MLNRPNMTADRA2AADRA2BADRA2C | |
| SCHEMBL19453942 | 0.74 | PNMT (0.57) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL24800033 | 0.73 | IDH1 (0.36) | MLNRPNMTCYP2C9 | |
| SCHEMBL19453939 | 0.72 | PNMT (0.50) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL24801242 | 0.72 | MLNR (0.33) | MLNRPNMTDRD2DRD3 | |
| SCHEMBL9820117 | 0.71 | ALDH1A1 (0.59) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20909872 | 0.68 | PNMT (0.66) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL20884995 | 0.68 | PNMT (0.60) | PNMTADRA2AADRA2BADRA2CDRD2 |
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-2017162390-A1 | BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF | HELSINN HEALTHCARE SA (CH) | 2017-09-28 | — | — | WO | disclosed |