Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.46 |
| ▸ | ADH5 | P11766 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL451 | 0.77 | CYP3A4 (1.00) | HDAC4CYP3A4MEN1ALOX15TSHR | |
| SCHEMBL12498365 | 0.76 | HDAC4 (1.00) | HDAC4 | |
| SCHEMBL12498368 | 0.76 | HDAC4 (1.00) | HDAC4 | |
| Iodomethane SCHEMBL28292632 | 0.76 | CYP3A4 (0.88) | CYP3A4MEN1ALOX15TSHRKMT2A | |
| Phosphine SCHEMBL28849690 | 0.75 | CYP3A4 (0.95) | HDAC4CYP3A4MEN1ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL8898731 | 0.75 | CYP3A4 (0.95) | CYP3A4MEN1ALOX15TSHRKMT2A | |
| SCHEMBL14157261 | 0.75 | CYP3A4 (0.95) | HDAC4CYP3A4MEN1ALOX15TSHR | |
| Iodide SCHEMBL28722278 | 0.75 | CYP3A4 (0.95) | HDAC4CYP3A4MEN1ALOX15TSHR | |
| Bromide SCHEMBL1954236 | 0.75 | CYP3A4 (0.95) | HDAC4CYP3A4MEN1ALOX15TSHR | |
| Ammonia Solution, Strong SCHEMBL3848736 | 0.75 | CYP3A4 (0.95) | HDAC4CYP3A4MEN1ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9765054-B2 | Histone deacetylase inhibitors and compositions and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2017-09-19 | — | — | US | disclosed |