Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25242407 | 0.82 | SCN5A (0.46) | SCN5ASCN9AABL1 | |
| SCHEMBL31104437 | 0.82 | SCN5A (0.46) | SCN5ASCN9AABL1 | |
| SCHEMBL21646059 | 0.79 | ALDH1A1 (0.41) | GPR3SMN1; SMN2USP2LMNACYP1A2 | |
| SCHEMBL29601133 | 0.76 | CCR1 (0.55) | LMNACBFBDYRK1AMAPK1 | |
| SCHEMBL1208300 | 0.76 | CCR1 (0.55) | LMNACBFBDYRK1AMAPK1 | |
| SCHEMBL17356164 | 0.76 | CCR1 (0.32) | SMN1; SMN2LMNA | |
| SCHEMBL28947645 | 0.73 | GPR3 (0.41) | GPR3RAF1EPHX2NPC1RAB9A | |
| SCHEMBL12721565 | 0.73 | NPC1 (0.39) | GPR3EPHX2NPC1RAB9AGAA | |
| SCHEMBL31174798 | 0.73 | NPC1 (0.39) | GPR3EPHX2NPC1RAB9AGAA | |
| SCHEMBL29956732 | 0.73 | NQO1 (0.41) | CHRM2CHRM1CHRM3NPC1RAB9A |
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-110385096-A | Preparation method of difluoromethoxy polysubstituted nitrogen-containing heterocyclic compound | 北京六合宁远科技有限公司 | 2019-10-29 | — | — | CN | claimed |
| CN-110385096-A | Preparation method of difluoromethoxy polysubstituted nitrogen-containing heterocyclic compound | 北京六合宁远科技有限公司 | 2019-10-29 | — | — | CN | disclosed |