Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 11/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 10/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20760623 | 0.84 | NPC1 (0.44) | CDK9CCNT1HTR6HTR2AHTR2C | |
| SCHEMBL20760832 | 0.81 | VNN1 (0.44) | CDK9CCNT1HTR6HTR2CCES2 | |
| SCHEMBL20760556 | 0.78 | CCNT1 (0.41) | CDK9CCNT1HTR6HTR2C | |
| SCHEMBL29766129 | 0.78 | CCNT1 (0.41) | CDK9CCNT1HTR6HTR2C | |
| SCHEMBL28368042 | 0.76 | KDM4E (0.40) | CDK9CCNT1CES2CES1 | |
| SCHEMBL15001472 | 0.74 | HRH3 (0.46) | CDK9CCNT1HTR6HTR2AHTR2C | |
| SCHEMBL20759670 | 0.74 | HTR6 (0.39) | CDK9CCNT1HTR6HTR2AHTR2C | |
| SCHEMBL28439457 | 0.74 | HTR6 (0.39) | CDK9CCNT1HTR6HTR2AHTR2C | |
| SCHEMBL29531318 | 0.73 | GABRP (0.49) | CDK9CCNT1HTR2C | |
| Hydrochloric Acid SCHEMBL28448601 | 0.73 | HTR2C (0.38) | CDK9CCNT1HTR6HTR2AHTR2C |
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-110891953-B | Pyrrolotriazines derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| WO-2019034128-A1 | PYRROLOTRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF | 浙江海正药业股份有限公司 | 2019-02-21 | — | — | WO | disclosed |