Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 6/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11769284 | 0.93 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1MEN1MAPTHPGD | |
| SCHEMBL9727371 | 0.89 | EGFR (0.45) | EGFRERBB2ALDH1A1TDP1HSD17B10 | |
| SCHEMBL3223255 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1L3MBTL1MEN1MAPT | |
| SCHEMBL3225090 | 0.82 | CNR2 (0.48) | EGFRERBB2ALDH1A1TDP1HSD17B10 | |
| SCHEMBL414561 | 0.81 | CA2 (0.56) | ALDH1A1TDP1MEN1KMT2ACA12 | |
| SCHEMBL4224314 | 0.79 | EGFR (0.44) | EGFRERBB2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL23363660 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1HSD17B10L3MBTL1MEN1 | |
| SCHEMBL7150414 | 0.78 | EGFR (0.47) | EGFRERBB2ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL24763419 | 0.76 | ESR1 (0.42) | ALDH1A1HSD17B10MAPTKMT2ACNR2 | |
| SCHEMBL28264310 | 0.75 | ENPP2 (0.41) | EGFRERBB2RORCALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5164514-A | Antispasmodics | ROUSSEL UCLAF (FR) | 1992-11-17 | — | — | US | disclosed |
| US-5081130-A | Antispasmodic agents | ROUSSEL UCLAF (FR) | 1992-01-14 | — | — | US | disclosed |
| US-5041436-A | 1-arylsulphonyl-2-piperidinone derivatives, process and intermediates for the preparation thereof, their application as antispasmodics and compositions containing them | ROUSSEL UCLAF (FR) | 1991-08-20 | — | — | US | disclosed |
| US-4990531-A | Antispasmodic agents | ROUSSEL UCLAF (FR) | 1991-02-05 | — | — | US | disclosed |