Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KDR | P35968 | 1/20 | 0.55 |
| ▸ | KDM4A | O75164 | 1/20 | 0.51 |
| ▸ | KDM4B | O94953 | 1/20 | 0.51 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | F12 | P00748 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29512053 | 0.80 | NPC1 (0.60) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30237970 | 0.79 | MEN1 (0.60) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28582487 | 0.78 | NPC1 (0.57) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL29512084 | 0.78 | NPC1 (0.57) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL777068 | 0.76 | NPC1 (0.68) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL9400456 | 0.76 | NPC1 (0.68) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28599674 | 0.75 | NPC1 (0.66) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL28555588 | 0.75 | KDR (0.57) | ADORA3NPC1RAB9AKDRKDM4A | |
| SCHEMBL6053591 | 0.75 | NPC1 (0.54) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL6053354 | 0.75 | NPC1 (0.54) | CYP2C9NPC1RAB9ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108640869-B | Transition metal catalyzed C-H coupling high-efficiency preparation of o-amidated aryl heterocyclic derivatives | 四川大学 | 2021-05-04 | — | — | CN | disclosed |