Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7611968 | 0.82 | ALDH1A1 (0.43) | ALDH1A1NPSR1CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL27675503 | 0.78 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1TDP1KMT2ASLC6A2 | |
| SCHEMBL10542317 | 0.77 | RAB9A (0.52) | ALDH1A1L3MBTL1TDP1KMT2AHTT | |
| SCHEMBL7758915 | 0.75 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1TDP1KMT2ASLC6A2 | |
| SCHEMBL11718453 | 0.74 | ALDH1A1 (0.43) | ALDH1A1NPSR1CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL18398156 | 0.72 | LMNA (0.52) | ALDH1A1NPSR1CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL10764838 | 0.72 | RAB9A (0.52) | ALDH1A1L3MBTL1HTTGAANPC1 | |
| SCHEMBL8127809 | 0.72 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1TDP1KMT2ASLC6A2 | |
| SCHEMBL7761467 | 0.71 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TDP1KMT2ASLC6A2 | |
| SCHEMBL6643252 | 0.71 | ALDH1A1 (0.44) | ALDH1A1NPSR1CYP2C9CYP2C19L3MBTL1 |
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 |