Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19122198 | 1.00 | HDAC4 (0.53) | HDAC4HDAC2HDAC8ALDH1A1GAA | |
| SCHEMBL1006801 | 0.84 | HDAC4 (0.62) | HDAC4HDAC2HDAC8ALDH1A1GAA | |
| SCHEMBL27855785 | 0.83 | HDAC4 (0.41) | HDAC4HDAC2HDAC8ALDH1A1HPGD | |
| SCHEMBL16364713 | 0.82 | TAAR1 (0.57) | HDAC4HDAC2HDAC8CYP3A4CYP2D6 | |
| SCHEMBL27557391 | 0.81 | SLC6A3 (0.38) | HDAC4HDAC2HDAC8CYP3A4CYP2D6 | |
| SCHEMBL25833123 | 0.79 | HTR2A (0.44) | HDAC4HDAC2HDAC8CYP3A4CYP2D6 | |
| SCHEMBL11428683 | 0.79 | IDO1 (0.35) | HDAC4HDAC2HDAC8CYP3A4CYP2D6 | |
| SCHEMBL198138 | 0.78 | HDAC4 (0.56) | HDAC4HDAC2HDAC8ALDH1A1GAA | |
| SCHEMBL7778471 | 0.78 | HDAC4 (0.56) | HDAC4HDAC2HDAC8ALDH1A1GAA | |
| SCHEMBL6345064 | 0.78 | CYP3A4 (0.47) | HDAC4HDAC2HDAC8ALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313385-B1 | AZIRIDINE CONTAINING DNA ALKYLATING AGENTS | THRESHOLD PHARMACEUTICALS INC (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |