Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8994973 | 0.79 | ALDH1A1 (0.57) | ALDH1A1ATMTAAR1KEAP1HDAC2 | |
| SCHEMBL9876476 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| Benzylacetone SCHEMBL10748981 | 0.73 | ALDH1A1 (0.88) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL22863825 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ATMTAAR1KEAP1HDAC2 | |
| SCHEMBL28881129 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ATMTAAR1KEAP1HDAC2 | |
| SCHEMBL353132 | 0.73 | HDAC2 (0.68) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL16429377 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ATMTAAR1KEAP1HDAC2 | |
| SCHEMBL10530175 | 0.73 | ALDH1A1 (0.67) | ALDH1A1ATMTAAR1KEAP1HDAC2 | |
| SCHEMBL16274 | 0.73 | ALDH1A1 (0.67) | ALDH1A1KEAP1HDAC2HDAC8HDAC6 | |
| SCHEMBL7441543 | 0.73 | ALDH1A1 (0.67) | ALDH1A1ATMTAAR1KEAP1HDAC2 |
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-2019060749-A1 | METHOD OF PREPARING TRISUBSTITUTED ETHYLENE COMPOUNDS | TRUSTEES OF BOSTON COLLEGE (US) | 2019-03-28 | — | — | WO | disclosed |