Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14996193 | 0.92 | NPC1 (0.50) | NPC1RAB9ADHODH | |
| SCHEMBL8033071 | 0.90 | LMNA (0.39) | NPC1RAB9A | |
| SCHEMBL14996189 | 0.90 | CYP1A2 (0.39) | NPC1RAB9ACYP1A2CYP2D6DHODH | |
| SCHEMBL8033068 | 0.88 | NPC1 (0.37) | NPC1RAB9ACYP1A2CYP2D6DHODH | |
| SCHEMBL14996188 | 0.87 | NPC1 (0.38) | NPC1RAB9ACYP1A2CYP2D6DHODH | |
| SCHEMBL8028109 | 0.82 | NPC1 (0.47) | NPC1RAB9ACYP1A2CYP2D6DHODH | |
| SCHEMBL8031216 | 0.81 | KCNN4 (0.38) | NPC1RAB9A | |
| SCHEMBL13059497 | 0.81 | ADORA2A (0.39) | NPC1RAB9ADHODH | |
| SCHEMBL13002540 | 0.81 | NPC1 (0.41) | NPC1RAB9ADHODH | |
| SCHEMBL8019842 | 0.80 | POLB (0.39) | NPC1RAB9ACYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250157-B1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LTD (IN) | 2014-11-05 | — | — | EP | disclosed |
| US-8455479-B2 | Heterocyclic compounds | PANACEA BIOTEC LIMITED (IN) | 2013-06-04 | — | — | US | disclosed |
| WO-2009093269-A1 | NOVEL HETEROCYCLIC COMPOUNDS | PANACEA BIOTEC LIMITED (IN) | 2009-07-30 | — | — | WO | disclosed |