Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15833696 | 0.75 | CYP1A2 (0.40) | CYP1A2CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL20116291 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL18030739 | 0.68 | TGFBR1 (0.52) | CYP1A2CYP2C9 | |
| SCHEMBL16158619 | 0.66 | KDM4E (0.37) | CYP1A2CYP2C9ALDH1A1IRAK4KDM4E | |
| SCHEMBL9037416 | 0.65 | CYP1A2 (0.45) | CYP1A2CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL8385140 | 0.62 | MAOA (0.47) | ALDH1A1CYP2A6KDM4EL3MBTL1NPC1 | |
| SCHEMBL19631265 | 0.59 | KDM4E (0.33) | CYP1A2ALDH1A1CYP2A6KDM4EHPGD | |
| SCHEMBL10238918 | 0.59 | CYP1A2 (0.56) | CYP1A2CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL22300408 | 0.58 | CYP1A2 (0.50) | CYP1A2CYP2C9ALDH1A1KDM4EHPGD | |
| SCHEMBL81947 | 0.58 | — | — |
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-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |