Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.37 |
| ▸ | USP7 | Q93009 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAPDH | P04406 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6633897 | 0.85 | MAPK14 (0.45) | NPC1ALDH1A1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL6634313 | 0.84 | GRM2 (0.41) | HSD17B10NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL6632966 | 0.84 | IKBKB (0.41) | FYNHSD17B10NPC1ALDH1A1HPGD | |
| SCHEMBL10434450 | 0.84 | LMNA (0.45) | HSD17B10NPC1ALDH1A1HPGDRAB9A | |
| SCHEMBL3983853 | 0.83 | HSD17B10 (0.47) | ESR1CA2HSD17B10CHRM2CHRM4 | |
| SCHEMBL3033548 | 0.83 | BCAT2 (0.50) | HSD17B10NPC1ALDH1A1RAB9AGAA | |
| SCHEMBL8023283 | 0.82 | PARP10 (0.46) | ALDH1A1PARP10 | |
| SCHEMBL3975038 | 0.80 | MAPK14 (0.47) | — | |
| SCHEMBL6633617 | 0.80 | PARP10 (0.49) | CA2ALDH1A1SMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL11127798 | 0.76 | POLB (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1442041-A1 | AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003040147-A1 | AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ | PHARMACIA & UPJOHN COMPANY (US) | 2003-05-15 | — | — | WO | disclosed |