Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9601849 | 0.81 | CYP3A4 (0.64) | CYP3A4ALDH1A1HTTHPGDMAPT | |
| SCHEMBL9493549 | 0.80 | ALDH1A1 (0.54) | CYP3A4ALDH1A1HTTNPSR1HPGD | |
| SCHEMBL253535 | 0.79 | CYP3A4 (0.77) | CYP3A4ALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL11302755 | 0.77 | CYP3A4 (0.60) | CYP3A4ALDH1A1HTTNPSR1HPGD | |
| SCHEMBL27901950 | 0.76 | CYP3A4 (0.68) | CYP3A4ALDH1A1NPSR1HPGDMAPT | |
| SCHEMBL7616104 | 0.76 | ALDH1A1 (0.49) | CYP3A4ALDH1A1HTTNPSR1HPGD | |
| SCHEMBL10953230 | 0.75 | CYP3A4 (0.62) | CYP3A4ALDH1A1HPGDCYP2C19HSD17B10 | |
| SCHEMBL2460812 | 0.75 | CYP3A4 (0.70) | CYP3A4ALDH1A1HTTNPSR1CYP2C19 | |
| SCHEMBL277817 | 0.73 | MAPT (0.55) | ALDH1A1HPGDMAPTCYP2C19KDM4E | |
| SCHEMBL11882134 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HTTNPSR1HPGDMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0739903-B1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO (JP) | 2002-01-23 | — | — | EP | disclosed |
| US-5739162-A | ANTAGONIST FOR GASTRIN AND/OR CHOLECYSTOKININ B-NOT A-RECEPTORS; SIDE EFFECT REDUCTION; ANTIULCER AGENTS; OPIOD-ENHANCING ANALGESICS; GASTROINTESTINAL DISORDERS; ANXIOLYTIC AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-04-14 | — | — | US | disclosed |
| EP-0739903-A1 | CARBAMOYLMETHYLUREA DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1996-10-30 | — | — | EP | disclosed |