Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CD74 | P04233 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.31 |
| ▸ | SLC13A5 | Q86YT5 | 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 | |
|---|---|---|---|---|
| SCHEMBL27537276 | 0.81 | HCAR2 (0.38) | HCAR2ALOX15NPC1RAB9ACDK2 | |
| SCHEMBL5533968 | 0.72 | NPSR1 (0.45) | HCAR2ALOX15NPC1RAB9ACDK2 | |
| SCHEMBL4561593 | 0.71 | HCAR2 (0.39) | HCAR2ALOX15NPC1RAB9ACDK2 | |
| SCHEMBL28159615 | 0.69 | — | — | |
| SCHEMBL27638185 | 0.69 | — | — | |
| SCHEMBL1013105 | 0.68 | TRPM8 (0.39) | HCAR2SMN1; SMN2TRPM8 | |
| SCHEMBL15542608 | 0.68 | HCAR2 (0.37) | HCAR2ALOX15NPC1RAB9ACDK2 | |
| SCHEMBL15519612 | 0.65 | HCAR2 (0.34) | HCAR2NPC1RAB9A | |
| SCHEMBL3065524 | 0.64 | — | — | |
| SCHEMBL27997308 | 0.64 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903310-B | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | 阵列生物制药公司 | 2018-08-14 | — | — | CN | disclosed |
| CN-108329246-A | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-07-27 | — | — | CN | disclosed |
| CN-105130967-B | Pyrrolidinyl urea and pyrrolidinyl thiourea compound as TRKA kinase inhibitors | 阵列生物制药公司 | 2018-04-17 | — | — | CN | disclosed |