Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 10/20 | 0.54 |
| ▸ | AKT2 | P31751 | 10/20 | 0.54 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18776373 | 0.71 | AKT1 (0.58) | AKT1AKT2CGASNPC1RAB9A | |
| SCHEMBL361482 | 0.71 | AKT2 (1.00) | AKT1AKT2 | |
| SCHEMBL17114242 | 0.68 | AKT1 (0.60) | AKT1AKT2CGASNPC1RAB9A | |
| SCHEMBL16797994 | 0.68 | CYP1A2 (0.63) | NPC1RAB9ANTRK1CYP1A2CYP2C9 | |
| SCHEMBL25417148 | 0.67 | AKT1 (0.61) | AKT1AKT2CGASNPC1RAB9A | |
| SCHEMBL31212121 | 0.66 | AKT1 (0.40) | AKT1AKT2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29876498 | 0.66 | AKT1 (0.44) | AKT1AKT2 | |
| SCHEMBL29876668 | 0.66 | ALDH1A1 (0.51) | AKT1AKT2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL16003629 | 0.66 | AKT1 (0.58) | AKT1AKT2CGASNPC1RAB9A | |
| SCHEMBL19001285 | 0.64 | HPGD (0.76) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021147699-A1 | PYRIDOHETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-07-29 | — | — | WO | disclosed |