Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 2/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14238860 | 0.90 | METAP2 (0.38) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL14240292 | 0.88 | CYP3A4 (0.36) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL14238851 | 0.88 | METAP2 (0.39) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL6920430 | 0.84 | CYP3A4 (0.40) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL6921685 | 0.82 | NPC1 (0.39) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL14239974 | 0.81 | POLB (0.42) | NPC1RAB9ATDP1NSD2ABL1 | |
| SCHEMBL14238846 | 0.80 | NPC1 (0.41) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL14238847 | 0.80 | CYP3A4 (0.38) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL14240294 | 0.80 | USP30 (0.37) | NPC1RAB9ATDP1CYP3A4NSD2 | |
| SCHEMBL12059330 | 0.79 | CYP3A4 (0.39) | NPC1RAB9ATDP1CYP3A4TGFBR1 |
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 |