Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL222284 | 0.88 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| SCHEMBL30731286 | 0.88 | SMN1; SMN2 (0.53) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| SCHEMBL27999697 | 0.88 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| SCHEMBL462847 | 0.88 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| SCHEMBL29447182 | 0.88 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| Bromide SCHEMBL7244276 | 0.86 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| Benzene SCHEMBL28261497 | 0.86 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL22288229 | 0.86 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| Hydrogen Sulfide SCHEMBL28270010 | 0.86 | SMN1; SMN2 (0.52) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 | |
| Hydrochloric Acid SCHEMBL27776055 | 0.86 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2PDE10AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003127-A1 | BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION | CELLTECH R & D LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |