Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.49 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.45 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.45 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326744 | 0.87 | HDAC1 (0.56) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8325813 | 0.87 | TBXAS1 (0.56) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8324714 | 0.82 | CA12 (0.48) | CYP3A4CYP2D6CYP2C19KMT2AKDM4E | |
| SCHEMBL8169471 | 0.82 | CDK5 (0.45) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8169470 | 0.82 | CDK5 (0.45) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL3439436 | 0.80 | MEN1 (0.59) | KMT2ANPC1RAB9AHDAC1HDAC8 | |
| SCHEMBL8323972 | 0.79 | BRD4 (0.43) | KMT2AKDM4ESMN1; SMN2IP6K1IP6K3 | |
| SCHEMBL8319688 | 0.78 | TBXAS1 (0.46) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8325909 | 0.78 | HDAC4 (0.55) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL8318730 | 0.77 | TBXAS1 (0.60) | CYP3A4CYP2D6CYP2C19CYP2E1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004063169-A1 | HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-07-29 | — | — | WO | disclosed |