Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | WEE1 | P30291 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19377495 | 1.00 | HTR6 (0.41) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL24800739 | 1.00 | HTR6 (0.41) | HTR6USP28CYP3A4PNMTWEE1 | |
| Hydrochloric Acid SCHEMBL19377278 | 0.99 | HTR6 (0.41) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL19377455 | 0.87 | HTR6 (0.45) | HTR6USP28CYP3A4PNMTHTR2C | |
| SCHEMBL19377457 | 0.87 | HTR6 (0.45) | HTR6USP28CYP3A4PNMTHTR2C | |
| SCHEMBL19377656 | 0.85 | MLNR (0.46) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL19377658 | 0.85 | MLNR (0.46) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL19377145 | 0.84 | USP28 (0.41) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL19377144 | 0.84 | USP28 (0.41) | HTR6USP28CYP3A4PNMTWEE1 | |
| SCHEMBL19377425 | 0.83 | PNMT (0.49) | HTR6PNMTHTR2CHTR2BITGB3 |
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 |