Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4268344 | 0.82 | NCF1 (0.62) | NCF1PTK2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6071316 | 0.80 | CYP1A2 (0.50) | NCF1PTK2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27778476 | 0.79 | F2R (0.46) | NCF1CYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL19189688 | 0.78 | ALDH1A1 (0.40) | BCHETRPV1FFAR2CRHR1LMNA | |
| SCHEMBL4193057 | 0.75 | FFAR2 (0.39) | CYP1A2CYP2D6CYP2C19FFAR2CRHR1 | |
| SCHEMBL4188323 | 0.75 | BACE1 (0.39) | BCHETRPV1FFAR2LMNA | |
| SCHEMBL2393935 | 0.74 | ALDH1A1 (0.45) | CYP1A2CYP2C19CYP2C9NPC1RAB9A | |
| SCHEMBL13701721 | 0.74 | NCF1 (0.60) | NCF1PTK2CYP1A2HRH3NPC1 | |
| SCHEMBL31019195 | 0.73 | NCF1 (0.50) | NCF1PTK2CYP1A2BCHEELANE | |
| SCHEMBL17937240 | 0.72 | NPC1 (0.45) | CYP1A2CYP2D6CYP2C19CYP3A4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101679363-B | Novel pyrimidine compound having benzyl(heterocyclicmethyl)amine structure and pharmaceutical product containing the same | KOWA CO | 2013-06-05 | — | — | CN | disclosed |
| CN-101679363-A | Novel pyrimidine compound having benzyl(heterocyclicmethyl)amine structure and pharmaceutical product containing the same | KOWA CO | 2010-03-24 | — | — | CN | disclosed |