Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.63 |
| ▸ | NPC1 | O15118 | 9/20 | 0.60 |
| ▸ | RAB9A | P51151 | 9/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.54 |
| ▸ | SCD | O00767 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL18106907 | 0.91 | NPC1 (0.60) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106895 | 0.89 | LPAR2 (0.67) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106896 | 0.88 | NPC1 (0.60) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106909 | 0.88 | RAB9A (0.60) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL204726 | 0.87 | NPC1 (0.73) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106898 | 0.85 | LPAR2 (0.66) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106893 | 0.85 | TUBB4A (0.51) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106903 | 0.84 | IRAK4 (0.62) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106890 | 0.84 | LPAR2 (0.64) | SMN1; SMN2NPC1RAB9APOLBTDP1 | |
| SCHEMBL18106901 | 0.83 | PIN1 (0.51) | SMN1; SMN2NPC1RAB9ALPAR2GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2742029-B1 | N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS | MERCK PATENT GMBH (DE) | 2016-10-05 | — | — | EP | claimed |