Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ACKR3 | P25106 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510513 | 0.90 | HDAC1 (0.74) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6510533 | 0.83 | HDAC1 (0.67) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6507970 | 0.78 | HDAC1 (0.52) | HDAC1CYP3A4KDM4EACKR3HTT | |
| SCHEMBL6513829 | 0.78 | HDAC1 (0.65) | HDAC1CYP3A4 | |
| SCHEMBL6511673 | 0.76 | HDAC1 (0.79) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL8294397 | 0.75 | HDAC1 (0.54) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL8290112 | 0.74 | HDAC1 (0.74) | HDAC1CYP3A4ACKR3 | |
| SCHEMBL6509511 | 0.73 | HDAC1 (0.47) | HDAC1CYP3A4KDM4ENR4A2 | |
| SCHEMBL6515011 | 0.72 | HDAC1 (0.52) | HDAC1CYP3A4ACKR3HTT | |
| SCHEMBL6507559 | 0.70 | HDAC1 (0.69) | HDAC1CYP3A4ACKR3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | claimed |
| WO-2005014588-A1 | SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY | ARGENTA DISCOVERY LIMITED (GB) | 2005-02-17 | — | — | WO | disclosed |