Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28088843 | 0.82 | ALDH1A1 (0.56) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL4902613 | 0.82 | ALDH1A1 (0.56) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL4890728 | 0.82 | ALDH1A1 (0.56) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL27981610 | 0.81 | ABCB1 (0.53) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL27769184 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL9636201 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL11785845 | 0.81 | ALDH1A1 (0.55) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL19224102 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL4908107 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 | |
| SCHEMBL12038598 | 0.80 | ALDH1A1 (0.44) | ALDH1A1SLC15A1ATMMAPK1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100413878-C | Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof | KISSEI PHARMACEUTICAL COMPANY (JP) | 2008-08-27 | — | — | CN | disclosed |
| CN-1688597-A | Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof | KISSEI PHARMACEUTICAL COMPANY (JP) | 2005-10-26 | — | — | CN | disclosed |