Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC2 | Q13490 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15716936 | 0.83 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL13724741 | 0.83 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL15360263 | 0.74 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL1487170 | 0.74 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL325949 | 0.74 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL16051991 | 0.74 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| SCHEMBL28894701 | 0.74 | KMT2A (0.44) | CYP3A4NFKB1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL15716759 | 0.72 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| Hydrochloric Acid SCHEMBL17439326 | 0.72 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 | |
| Hydrochloric Acid SCHEMBL15716760 | 0.72 | CYP3A4 (0.40) | BIRC2CYP3A4CYP2D6NFKB1PRKD3 |
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-115397818-A | Aminopyrimidine derivatives and their use as modulators of arene receptors | 东亚ST株式会社 | 2022-11-25 | — | — | CN | disclosed |