Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28060040 | 0.85 | DHFR (0.73) | DHFRKDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL28060062 | 0.85 | ADORA2A (0.48) | DHFRKDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL482479 | 0.80 | NPC1 (0.50) | ADORA2AADORA1ALDH1A1SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL4144361 | 0.78 | NPC1 (0.48) | ADORA2AADORA1ALDH1A1SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL6470317 | 0.77 | NPC1 (0.47) | ADORA2AADORA1ALDH1A1SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL6470320 | 0.77 | NPC1 (0.47) | ADORA2AADORA1ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL26674961 | 0.76 | HTR3A (0.49) | DHFRKDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL13327725 | 0.75 | CYP1A2 (0.58) | DHFRKDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL31023416 | 0.75 | CYP1A2 (0.58) | DHFRKDM4ECYP1A2ADORA2AADORA1 | |
| SCHEMBL23931897 | 0.74 | KDM4E (0.51) | KDM4EMAPTSRCPIK3CDPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350023-A1 | 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | NeuroSearch A/S (DK) | 2011-08-03 | — | — | EP | disclosed |