Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5612567 | 0.85 | ACHE (0.34) | ALDH1A1CYP3A4MAOBMAPTSMN1; SMN2 | |
| SCHEMBL10600431 | 0.78 | ACHE (0.54) | ALDH1A1TP53GAATDP1 | |
| SCHEMBL10600436 | 0.78 | ACHE (0.54) | ALDH1A1TP53GAATDP1 | |
| SCHEMBL9863367 | 0.76 | CYP3A4 (0.48) | ALDH1A1CYP3A4TSHRPOLBAPP | |
| SCHEMBL28227705 | 0.76 | CYP19A1 (0.58) | ALDH1A1CYP3A4TP53MAOBMAPT | |
| SCHEMBL13665391 | 0.75 | MAOB (0.57) | ALDH1A1CYP3A4TP53MAOBTSHR | |
| SCHEMBL302901 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TP53MAOBTSHR | |
| SCHEMBL513410 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TP53MAOBTSHR | |
| SCHEMBL3210284 | 0.74 | CYP3A4 (0.58) | ALDH1A1CYP3A4TP53MAOBTSHR | |
| SCHEMBL6938772 | 0.74 | MAOB (0.47) | ALDH1A1MAOBTSHRMAPTSMN1; SMN2 |
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 |