Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18589010 | 0.85 | KDM1A (0.42) | CA1CA2KDM1AKDM1BMEN1 | |
| SCHEMBL20119105 | 0.85 | KDM1A (0.42) | CA1CA2KDM1AKDM1BMEN1 | |
| Hydrochloric Acid SCHEMBL15016947 | 0.84 | KDM1A (0.41) | CA1CA2KDM1AKDM1BMEN1 | |
| Hydrochloric Acid SCHEMBL15016945 | 0.84 | KDM1A (0.41) | CA1CA2KDM1AKDM1BMEN1 | |
| Tert-Butyl Formate SCHEMBL28305239 | 0.77 | CA1 (0.34) | CA1CA2KDM1AKDM1BTDP1 | |
| Tert-Butyl Formate SCHEMBL28305221 | 0.76 | CA1 (0.36) | CA1CA2KDM1AKDM1BTDP1 | |
| SCHEMBL448260 | 0.70 | FUCA1 (0.37) | KMT2A | |
| SCHEMBL430898 | 0.70 | FUCA1 (0.37) | KMT2A | |
| Tert-Butyl Formate SCHEMBL27656801 | 0.66 | TDP1 (0.65) | TDP1MEN1NPC1KMT2A | |
| SCHEMBL31211665 | 0.64 | MAOB (0.38) | CA1KDM1ATDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109890820-A | Amino-pyrazol as neurotrophic factor tyrosine kinase receptor inhibitor and pyrimidine compound | 正大天晴药业集团股份有限公司 | 2019-06-14 | — | — | CN | disclosed |