Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | CDK9 | P50750 | 8/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 7/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20759806 | 0.88 | HTR2C (0.40) | KITHTR2CCDK9CCNT1ALOX5AP | |
| SCHEMBL20759670 | 0.85 | HTR6 (0.39) | KITHTR2CCDK9CCNT1HTR2A | |
| SCHEMBL28439457 | 0.85 | HTR6 (0.39) | KITHTR2CCDK9CCNT1HTR2A | |
| Hydrochloric Acid SCHEMBL28448601 | 0.84 | HTR2C (0.38) | KITHTR2CCDK9CCNT1ALOX5AP | |
| Hydrochloric Acid SCHEMBL28448600 | 0.84 | HTR2C (0.38) | KITHTR2CCDK9CCNT1ALOX5AP | |
| Trifluoroacetic Acid SCHEMBL30863752 | 0.79 | HTR6 (0.38) | BTKKITHTR2CCDK9CCNT1 | |
| Trifluoroacetic Acid SCHEMBL28452901 | 0.79 | HTR6 (0.38) | BTKKITHTR2CCDK9CCNT1 | |
| SCHEMBL20760446 | 0.76 | HTR2C (0.39) | HTR2CCDK9CCNT1ALOX5APFEN1 | |
| SCHEMBL20759601 | 0.76 | SIGMAR1 (0.49) | HTR2CCDK9CCNT1HTR2AHTR7 | |
| SCHEMBL15001472 | 0.74 | HRH3 (0.46) | HTR2CCDK9CCNT1HTR2AHTR7 |
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-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 |