Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 9/20 | 0.54 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 3/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL211307 | 0.74 | ALDH1A1 (0.43) | PARP1TNKS2KDM4ENPC1ALDH1A1 | |
| SCHEMBL47352 | 0.71 | PARP1 (1.00) | PARP1TNKS2KDM4ENPC1ALDH1A1 | |
| SCHEMBL8621956 | 0.69 | PARP1 (0.96) | PARP1TNKS2KDM4ENPC1ALDH1A1 | |
| SCHEMBL8621967 | 0.69 | PARP1 (0.96) | PARP1TNKS2KDM4ENPC1ALDH1A1 | |
| SCHEMBL1387263 | 0.68 | PARP1 (1.00) | PARP1TNKS2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL158006 | 0.68 | PARP1 (0.52) | PARP1TNKS2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1069166 | 0.67 | ALDH1A1 (0.35) | NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6014115 | 0.67 | HCAR2 (0.59) | PARP1TNKS2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL17977284 | 0.66 | PARP1 (0.59) | PARP1TNKS2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6931033 | 0.66 | PARP1 (0.70) | PARP1TNKS2KDM4ECYP1A2CYP2D6 |
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-2014204856-A1 | FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES | CATABASIS PHARMACEUTICALS, INC. (US) | 2014-12-24 | — | — | WO | disclosed |