Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23891068 | 0.98 | CNR2 (0.36) | CNR2NPC1RAB9AKMT2ACNR1 | |
| SCHEMBL18856656 | 0.98 | CNR2 (0.36) | CNR2NPC1RAB9AKMT2ACNR1 | |
| SCHEMBL23565695 | 0.98 | CNR2 (0.36) | CNR2NPC1RAB9AKMT2ACNR1 | |
| SCHEMBL19464620 | 0.89 | KDM4E (0.33) | KDM4EALDH1A1CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL19604221 | 0.83 | CNR2 (0.35) | CNR2CNR1PPARA | |
| SCHEMBL21730462 | 0.81 | ALDH1A1 (0.35) | CNR2NPC1RAB9AKMT2ACNR1 | |
| SCHEMBL22375311 | 0.78 | CNR1 (0.32) | CNR2CNR1FAAHMGLL | |
| SCHEMBL22796278 | 0.77 | TRPM8 (0.35) | CNR2NPC1RAB9AALDH1A1CYP2C19 | |
| SCHEMBL19134507 | 0.75 | CYP1A2 (0.38) | CNR2CNR1CYP1A2CYP19A1CYP2C9 | |
| SCHEMBL26457324 | 0.74 | TRPM8 (0.33) | NPC1RAB9AKDM4EALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9782407-B2 | Substituted benzylamino quinolines as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-10-10 | — | — | US | disclosed |
| US-9765030-B2 | Benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2017-09-19 | — | — | US | disclosed |