Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | FASN | P49327 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18106901 | 0.91 | PIN1 (0.51) | NPC1RAB9AIRAK4SMN1; SMN2FASN | |
| SCHEMBL18106906 | 0.83 | SMN1; SMN2 (0.63) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL18106894 | 0.82 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2POLBTDP1 | |
| SCHEMBL18106893 | 0.81 | TUBB4A (0.51) | NPC1RAB9AIRAK4SMN1; SMN2POLB | |
| SCHEMBL18106911 | 0.81 | ABL1 (0.46) | NPC1RAB9AIRAK4FASNLPAR2 | |
| SCHEMBL18106889 | 0.81 | RAB9A (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2LPAR2 | |
| SCHEMBL15944962 | 0.81 | LPAR2 (0.64) | NPC1RAB9AIRAK4SMN1; SMN2POLB | |
| SCHEMBL18106904 | 0.78 | LPAR2 (0.48) | NPC1RAB9AIRAK4SMN1; SMN2POLB | |
| SCHEMBL18106898 | 0.77 | LPAR2 (0.66) | NPC1RAB9AIRAK4SMN1; SMN2POLB | |
| SCHEMBL18106895 | 0.76 | LPAR2 (0.67) | NPC1RAB9ASMN1; SMN2POLBTDP1 |
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 |