Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7613630 | 0.89 | NPSR1 (0.75) | HTTNPSR1LMNAALDH1A1HPGD | |
| SCHEMBL7616103 | 0.84 | NPSR1 (0.62) | HTTNPSR1LMNAALDH1A1HPGD | |
| SCHEMBL27457577 | 0.82 | ALDH1A1 (0.49) | HTTNPSR1ALDH1A1HDAC3HDAC1 | |
| SCHEMBL7611175 | 0.81 | NPSR1 (0.58) | HTTNPSR1LMNAALDH1A1HPGD | |
| SCHEMBL451742 | 0.80 | LMNA (0.62) | HTTNPSR1LMNAALDH1A1MAPK1 | |
| SCHEMBL7616469 | 0.78 | HTT (0.55) | HTTNPSR1LMNAALDH1A1HPGD | |
| SCHEMBL1484111 | 0.77 | KDM4E (0.63) | HTTNPSR1LMNAALDH1A1MAPK1 | |
| SCHEMBL27455560 | 0.77 | ALDH1A1 (0.52) | ALDH1A1HDAC3HDAC1PPARGPPARD | |
| SCHEMBL11785718 | 0.76 | LMNA (0.77) | HTTNPSR1LMNAALDH1A1MAPK1 | |
| Bromide SCHEMBL7611232 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HDAC3HDAC1PPARGPPARD |
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 |