Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.57 |
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | ECE1 | P42892 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4834831 | 0.83 | HDAC1 (0.59) | HDAC1HDAC6NOS1 | |
| SCHEMBL19956623 | 0.81 | HDAC1 (0.42) | HDAC1HDAC6SLC6A3 | |
| SCHEMBL11926805 | 0.77 | SLC6A3 (0.49) | HDAC1HDAC6SLC6A3DRD2HTR2A | |
| SCHEMBL4834326 | 0.77 | HDAC1 (0.65) | HDAC1HDAC6KCNH2 | |
| SCHEMBL8214495 | 0.76 | NOS1 (0.65) | HDAC1HDAC6NOS1KCNH2HTR2A | |
| SCHEMBL201216 | 0.76 | NOS1 (0.60) | HDAC1HDAC6NOS1KCNH2DRD2 | |
| SCHEMBL2256127 | 0.75 | — | — | |
| SCHEMBL19362878 | 0.74 | PTPRB (0.54) | — | |
| SCHEMBL3956722 | 0.74 | LOXL2 (0.47) | HDAC1HDAC6SLC6A3DRD2HTR2A | |
| SCHEMBL5908633 | 0.74 | NOS1 (0.53) | HDAC1HDAC6NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3293182-A1 | HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE | Aerpio Therapeutics, Inc. (US) | 2018-03-14 | — | — | EP | disclosed |