Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 8/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6205950 | 1.00 | RAB9A (0.51) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6206414 | 0.84 | RAB9A (0.47) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6206416 | 0.84 | RAB9A (0.47) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL6206149 | 0.76 | NPC1 (0.57) | RAB9ANPC1CNR2CNR1 | |
| SCHEMBL6206147 | 0.76 | NPC1 (0.57) | RAB9ANPC1CNR2CNR1 | |
| SCHEMBL12688981 | 0.75 | ALDH1A1 (0.36) | RAB9ANPC1LCKCSF1RKDR | |
| SCHEMBL21106507 | 0.73 | IRAK4 (0.66) | — | |
| SCHEMBL841350 | 0.73 | MEN1 (0.61) | — | |
| SCHEMBL24405594 | 0.73 | TAS1R3 (0.57) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL24405480 | 0.73 | TAS1R3 (0.57) | RAB9ANPC1TAS1R3TAS1R1TAS1R2 |
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-1595871-A2 | Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases | NPS PHARMACEUTICALS, INC. (US) | 2005-11-16 | — | — | EP | disclosed |