Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12059113 | 0.86 | NPC1 (0.43) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL6920486 | 0.84 | NPC1 (0.41) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL12059551 | 0.84 | NPC1 (0.41) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL6922310 | 0.83 | NPC1 (0.41) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL14238888 | 0.82 | NPC1 (0.41) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL14239106 | 0.82 | NPC1 (0.40) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL14239921 | 0.82 | NPC1 (0.40) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL6922375 | 0.82 | NPC1 (0.48) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL6921720 | 0.81 | NPC1 (0.39) | NPC1RAB9ATDP1NSD2ALDH1A1 | |
| SCHEMBL14238846 | 0.81 | NPC1 (0.41) | NPC1RAB9ATDP1NSD2ABL1 |
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-2012170845-A2 | METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF | HEFFERNAN MICHELE L R (US) | 2012-12-13 | — | — | WO | disclosed |