Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.57 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
| ▸ | GPR183 | P32249 | 1/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987852 | 0.85 | IRAK4 (0.54) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 | |
| SCHEMBL7987135 | 0.82 | CTSD (0.49) | ALDH1A1KCNK3KCNK9RXFP1 | |
| SCHEMBL7987117 | 0.81 | IRAK4 (0.50) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 | |
| SCHEMBL7983681 | 0.78 | HCRTR1 (0.53) | MRGPRX1ALDH1A1KCNK3KCNK9KDM4E | |
| SCHEMBL7987932 | 0.77 | L3MBTL1 (0.43) | KCNK3KCNK9SLC9A1LMNA | |
| SCHEMBL27958806 | 0.76 | IRAK4 (0.68) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 | |
| SCHEMBL9731758 | 0.76 | IRAK4 (0.58) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 | |
| SCHEMBL20981405 | 0.76 | IRAK4 (0.58) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 | |
| SCHEMBL2094692 | 0.76 | IRAK4 (0.72) | IRAK4ALDH1A1ACHEIDO1TDO2 | |
| SCHEMBL7088362 | 0.76 | IRAK4 (0.72) | IRAK4MRGPRX1ALDH1A1ACHEIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |