Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.53 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | VDR | P11473 | 1/20 | 0.43 |
| ▸ | BUB1 | O43683 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL928760 | 0.87 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL14584085 | 0.84 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL19128354 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL27941734 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL6301330 | 0.80 | SLC22A12 (0.69) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL1602437 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL29562266 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL927502 | 0.78 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL8381741 | 0.78 | NPSR1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL6298607 | 0.77 | SLC22A12 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR |
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 |