Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.46 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | DHPS | P49366 | 1/20 | 0.45 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL31409566 | 1.00 | HDAC1 (0.49) | HDAC1HDAC4HDAC6GRM5PARP1 | |
| SCHEMBL16850291 | 0.88 | HDAC1 (0.58) | HDAC1HDAC4HDAC6GRM5PARP1 | |
| SCHEMBL21768036 | 0.88 | ERCC1 (0.47) | HDAC1MEN1KMT2APRMT5WDR77 | |
| SCHEMBL2023150 | 0.87 | GRM5 (0.50) | HDAC1HDAC4HDAC6GRM5PARP1 | |
| SCHEMBL3054839 | 0.86 | GRM5 (0.67) | GRM5PRMT5WDR77ACHEDHPS | |
| SCHEMBL31409495 | 0.86 | PARP1 (0.50) | PARP1KMT2APRMT5WDR77ACHE | |
| SCHEMBL31409533 | 0.86 | ADAM17 (0.57) | MEN1KMT2AADAM17 | |
| SCHEMBL31409508 | 0.86 | CYP19A1 (0.50) | HDAC1HDAC4HDAC6MEN1KMT2A | |
| SCHEMBL29438631 | 0.86 | GRM5 (0.67) | GRM5PRMT5WDR77ACHEDHPS | |
| SCHEMBL31409506 | 0.84 | DHPS (0.51) | HDAC1HDAC4HDAC6MEN1KMT2A |
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-2007000337-A1 | BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS | PALAU PHARMA, S.A. (ES) | 2007-01-04 | — | — | WO | disclosed |