Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | KDM6B | O15054 | 4/20 | 0.38 |
| ▸ | KDM4A | O75164 | 4/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 4/20 | 0.38 |
| ▸ | HIF1AN | Q9NWT6 | 4/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 4/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5120763 | 0.77 | SMN1; SMN2 (0.71) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL14587561 | 0.69 | SMN1; SMN2 (0.43) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL3084614 | 0.68 | KDM4E (0.54) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL5506613 | 0.67 | EPHX1 (0.55) | ALDH1A1CYP1A2EPHX1PKML3MBTL1 | |
| SCHEMBL1158167 | 0.67 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL15477873 | 0.67 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1CYP1A2EPHX1HPGD | |
| SCHEMBL11514986 | 0.66 | EPHX1 (0.53) | ALDH1A1NPC1RAB9ACYP1A2EPHX1 | |
| Bromide SCHEMBL5514412 | 0.66 | EPHX1 (0.53) | ALDH1A1CYP1A2EPHX1PKML3MBTL1 | |
| SCHEMBL20919662 | 0.65 | MEN1 (0.57) | SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2D6 | |
| SCHEMBL5264050 | 0.64 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1NPC1RAB9AMAPT |
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-7176310-B1 | Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents | UCB SA (GB) | 2007-02-13 | — | — | US | disclosed |