Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.43 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319277 | 0.86 | HDAC1 (0.55) | BRD4ESR1LIMK2HDAC1HDAC8 | |
| SCHEMBL8323972 | 0.79 | BRD4 (0.43) | BRD4SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL9485553 | 0.76 | MMP1 (0.60) | LIMK2SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL27706042 | 0.76 | ESR1 (0.57) | BRD4ESR1LIMK2SMN1; SMN2NPC1 | |
| SCHEMBL11050806 | 0.76 | CA1 (0.51) | BRD4ESR1LIMK2SMN1; SMN2NPC1 | |
| SCHEMBL8322937 | 0.76 | CYP3A4 (0.49) | SMN1; SMN2NPC1RAB9AKMT2ACA12 | |
| SCHEMBL17621 | 0.75 | HSD17B10 (0.62) | BRD4ESR1LIMK2KMT2ACYP1A2 | |
| SCHEMBL3439436 | 0.73 | MEN1 (0.59) | NPC1RAB9AKMT2AHDAC1HDAC8 | |
| SCHEMBL4833224 | 0.73 | CA12 (0.66) | ESR1SMN1; SMN2KMT2ACA12CA1 | |
| SCHEMBL4833218 | 0.73 | CA12 (0.66) | ESR1SMN1; SMN2KMT2ACA12CA1 |
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 |