Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987117 | 0.90 | IRAK4 (0.50) | IRAK4IDO1TDO2ALDH1A1ACHE | |
| SCHEMBL7990812 | 0.85 | IRAK4 (0.57) | IRAK4IDO1TDO2ALDH1A1ACHE | |
| SCHEMBL7973346 | 0.83 | CTSD (0.50) | ALDH1A1KCNK3KCNK9LMNA | |
| SCHEMBL7974560 | 0.82 | HCRTR1 (0.53) | ALDH1A1KCNK3KCNK9KDM4ELMNA | |
| SCHEMBL7984803 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL7983548 | 0.78 | LMNA (0.54) | ALDH1A1KDM4ELMNATDP1RXFP1 | |
| SCHEMBL13019682 | 0.74 | IRAK4 (0.64) | IRAK4IDO1TDO2ALDH1A1ACHE | |
| SCHEMBL7973403 | 0.74 | ERCC5 (0.42) | — | |
| SCHEMBL7991056 | 0.74 | NPSR1 (0.39) | ALDH1A1SLC9A1 | |
| SCHEMBL16674268 | 0.74 | IRAK4 (0.68) | IRAK4IDO1TDO2ALDH1A1ACHE |
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 |