Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.52 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17420472 | 0.86 | NPC1 (0.68) | HTTLMNANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL451742 | 0.85 | LMNA (0.62) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL25248863 | 0.85 | HTT (0.59) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL7613630 | 0.82 | NPSR1 (0.75) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL1484111 | 0.82 | KDM4E (0.63) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL7420731 | 0.82 | KMT2A (0.59) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL7315510 | 0.81 | KDM1A (0.67) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL7611175 | 0.79 | NPSR1 (0.58) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL23508118 | 0.79 | HTT (0.58) | HTTLMNANPSR1MAPK1ALDH1A1 | |
| SCHEMBL13465238 | 0.79 | SHMT2 (0.54) | HTTLMNANPSR1MAPK1ALDH1A1 |
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 |