Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 16/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3127629 | 1.00 | NPC1 (0.42) | NPC1RAB9AGPR119USP30IDO1 | |
| SCHEMBL3136405 | 0.92 | USP30 (0.37) | NPC1RAB9AGPR119USP30LIPE | |
| SCHEMBL3130127 | 0.92 | USP30 (0.37) | NPC1RAB9AGPR119USP30LIPE | |
| SCHEMBL3130120 | 0.92 | USP30 (0.37) | NPC1RAB9AGPR119USP30LIPE | |
| SCHEMBL3135530 | 0.86 | ESR2 (0.38) | GPR119USP30LIPE | |
| SCHEMBL5846934 | 0.84 | NPC1 (0.41) | NPC1RAB9AGPR119USP30IDO1 | |
| SCHEMBL5847677 | 0.84 | NPC1 (0.41) | NPC1RAB9AGPR119USP30IDO1 | |
| SCHEMBL3140288 | 0.84 | MAPT (0.52) | NPC1RAB9AGPR119 | |
| SCHEMBL5847390 | 0.83 | FPR2 (0.42) | NPC1RAB9AGPR119USP30IDO1 | |
| SCHEMBL5848322 | 0.81 | NPC1 (0.40) | NPC1RAB9AGPR119USP30IDO1 |
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-1399445-B9 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |
| EP-1399445-B1 | SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2009-08-05 | — | — | EP | disclosed |