Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL933330 | 0.84 | RAB9A (0.50) | HDAC3HDAC4HDAC1SMN1; SMN2HDAC7 | |
| SCHEMBL25168667 | 0.84 | SMN1; SMN2 (0.63) | HDAC3HDAC4HDAC1SMN1; SMN2HDAC7 | |
| SCHEMBL7173394 | 0.82 | ALDH1A1 (0.47) | ALDH1A1HDAC1HDAC6MTNR1AMTNR1B | |
| SCHEMBL19932503 | 0.81 | HDAC6 (0.58) | ALDH1A1HDAC6IDO1 | |
| SCHEMBL10110719 | 0.79 | TAAR1 (0.50) | ALDH1A1SLC6A3 | |
| SCHEMBL22527126 | 0.79 | MAOA (0.52) | ALDH1A1HDAC3HDAC4HDAC1SMN1; SMN2 | |
| SCHEMBL30805270 | 0.79 | MAPT (0.62) | HDAC3HDAC4HDAC1SMN1; SMN2HDAC7 | |
| SCHEMBL3397240 | 0.79 | TAAR1 (0.50) | ALDH1A1 | |
| SCHEMBL3891167 | 0.79 | PLAAT3 (0.57) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5241784 | 0.79 | IDO1 (0.54) | SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113277935-B | Far-end halogenated alkyl ketone using HX as halogen source and synthesis method thereof | 西安交通大学 | 2022-08-05 | — | — | CN | disclosed |
| EP-1670755-A4 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | HARVARD COLLEGE (US) | 2007-02-28 | — | — | EP | disclosed |
| EP-1670755-A2 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | President And Fellows of Harvard College (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005034878-A2 | PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-04-21 | — | — | WO | disclosed |