Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | VNN1 | O95497 | 4/20 | 0.39 |
| ▸ | NAMPT | P43490 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | LATS1 | O95835 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30525777 | 1.00 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC6RAB9A | |
| SCHEMBL1265671 | 0.85 | NAMPT (0.48) | HDAC3HDAC1HDAC2HDAC6RAB9A | |
| SCHEMBL30089199 | 0.85 | NAMPT (0.48) | HDAC3HDAC1HDAC2HDAC6RAB9A | |
| SCHEMBL5749 | 0.78 | CYP17A1 (0.44) | RAB9ANAMPTCYP3A4GAACYP17A1 | |
| SCHEMBL23070376 | 0.77 | VNN1 (0.49) | HDAC3HDAC1HDAC2HDAC6VNN1 | |
| SCHEMBL9439389 | 0.76 | CYP3A4 (0.59) | RAB9ANAMPTKDM4ECYP3A4GAA | |
| SCHEMBL21847323 | 0.75 | NAMPT (0.40) | RAB9ANAMPTCYP3A4APLNRGAA | |
| SCHEMBL27838788 | 0.75 | RAB9A (0.44) | RAB9ANAMPTKDM4EGAAGPR119 | |
| SCHEMBL17963188 | 0.75 | CYP17A1 (0.53) | RAB9ANAMPTCYP3A4GAACYP17A1 | |
| SCHEMBL21692809 | 0.74 | KDM4E (0.36) | RAB9AKDM4EAPLNRGAACYP17A1 |
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-2021046515-A1 | INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2021-03-11 | — | — | WO | disclosed |