Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8033068 | 0.90 | NPC1 (0.37) | NPC1RAB9ADHODHDPP4 | |
| SCHEMBL14996193 | 0.86 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL8028109 | 0.86 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL8031252 | 0.84 | POLB (0.40) | NPC1RAB9ASMN1; SMN2DHODHDPP4 | |
| SCHEMBL13059500 | 0.83 | DHODH (0.33) | NPC1RAB9ASMN1; SMN2DHODHMAPT | |
| SCHEMBL13002561 | 0.83 | KCNN4 (0.38) | NPC1RAB9ADHODHDCTPP1MAPT | |
| SCHEMBL8029754 | 0.83 | KCNN4 (0.40) | RAB9ASMN1; SMN2DHODHDPP4MAPT | |
| SCHEMBL8020266 | 0.82 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2DHODHCYP3A4 | |
| SCHEMBL8028113 | 0.78 | NPC1 (0.40) | NPC1RAB9ADHODH | |
| SCHEMBL14996189 | 0.78 | CYP1A2 (0.39) | NPC1RAB9ADHODH |
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 |