Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1158167 | 0.85 | SMN1; SMN2 (0.52) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL3084614 | 0.77 | KDM4E (0.54) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5659351 | 0.75 | ALDH1A1 (0.49) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5120763 | 0.74 | SMN1; SMN2 (0.71) | ALDH1A1HSD17B10SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL5660091 | 0.74 | RAB9A (0.47) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5659327 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5658074 | 0.73 | ALDH1A1 (0.61) | ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6833126 | 0.73 | SMN1; SMN2 (0.52) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5726284 | 0.71 | ALDH1A1 (0.82) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A | |
| SCHEMBL5661117 | 0.71 | RAB9A (0.62) | ALDH1A1HSD17B10MAPK1SMN1; SMN2RAB9A |
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 |