Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.38 |
| ▸ | CDK9 | P50750 | 9/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28452901 | 1.00 | HTR6 (0.38) | HTR6CDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL28439457 | 0.93 | HTR6 (0.39) | HTR6CDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL20759670 | 0.93 | HTR6 (0.39) | HTR6CDK9CCNT1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL28448601 | 0.92 | HTR2C (0.38) | HTR6CDK9CCNT1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL28448600 | 0.92 | HTR2C (0.38) | HTR6CDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL20760446 | 0.81 | HTR2C (0.39) | HTR6CDK9CCNT1HTR2CHTR2A | |
| SCHEMBL20759680 | 0.79 | BTK (0.36) | HTR6CDK9CCNT1BTKHTR2C | |
| SCHEMBL28443996 | 0.77 | TRPV1 (0.45) | CDK9CCNT1HDAC3HDAC1HDAC2 | |
| SCHEMBL20759806 | 0.75 | HTR2C (0.40) | HTR6CDK9CCNT1HTR2CKIT | |
| SCHEMBL20760419 | 0.73 | CDK9 (0.45) | HTR6CDK9CCNT1HTR2CHTR2A |
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-111410648-B | Chiral c-KIT inhibitor drug key intermediate and preparation method thereof | 浙江海正药业股份有限公司 | 2024-03-29 | — | — | CN | disclosed |