Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8318893 | 0.81 | ABCC9 (0.37) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL8311414 | 0.81 | AKR1B1 (0.39) | ALDH1A1TDP1CYP3A4CA1CA9 | |
| SCHEMBL8316855 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL8315842 | 0.78 | AKR1B1 (0.35) | ALDH1A1TDP1CYP3A4CA1CA9 | |
| SCHEMBL8315362 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL8315997 | 0.73 | CA9 (0.49) | ALDH1A1TDP1CYP3A4CA1CA9 | |
| SCHEMBL8311243 | 0.71 | ALDH1A1 (0.36) | ALDH1A1AKR1B1KDM4EMEN1MAPT | |
| SCHEMBL8313498 | 0.71 | RECQL (0.32) | ALDH1A1AKR1B1MAPTKMT2A | |
| SCHEMBL8138279 | 0.69 | KDM4E (0.47) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL11938090 | 0.68 | AKR1B1 (0.43) | ALDH1A1TDP1CYP3A4CA1CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632033-B1 | NOVEL BENZOPYRAN DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-04-07 | — | — | EP | disclosed |
| CN-1036918-C | Novel benzopyran derivatives | CHUGAI SEIYAKU PHARMACEUTICAL (JP) | 1998-01-07 | — | — | CN | disclosed |
| US-5646308-A | POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-07-08 | — | — | US | disclosed |
| EP-0632033-A1 | NOVEL BENZOPYRAN DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1995-01-04 | — | — | EP | disclosed |
| CN-1077954-A | New 1-benzopyran derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1993-11-03 | — | — | CN | disclosed |