Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10042833 | 0.84 | ALDH1A1 (0.43) | ALDH1A1LMNAHDAC1HDAC6NPSR1 | |
| SCHEMBL10042806 | 0.71 | ALDH1A1 (0.63) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 | |
| SCHEMBL5641649 | 0.64 | HPGD (0.58) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 | |
| SCHEMBL12900896 | 0.63 | HDAC1 (0.68) | MAPTHDAC1HDAC6POLB | |
| SCHEMBL2834886 | 0.63 | ALOX5 (0.56) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 | |
| SCHEMBL12900897 | 0.63 | HDAC1 (0.60) | ALDH1A1LMNAMAPTHDAC1HDAC6 | |
| SCHEMBL12934246 | 0.62 | MAPT (0.77) | ALDH1A1MAPTHDAC1HDAC6SMN1; SMN2 | |
| SCHEMBL12231378 | 0.61 | ALDH1A1 (0.79) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 | |
| SCHEMBL30639187 | 0.61 | SMN1; SMN2 (0.52) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 | |
| SCHEMBL29141346 | 0.61 | SMN1; SMN2 (0.52) | ALDH1A1CYP2C19LMNAMAPTCYP1A2 |
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-2012018932-A2 | COMPOUNDS AND COMPOSITIONS FOR MITIGATING TISSUE DAMAGE AND LETHALITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-02-09 | — | — | WO | disclosed |