Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 18/20 | 0.56 |
| ▸ | HTR2A | P28223 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 6/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30658102 | 0.99 | HTR2C (0.55) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24674969 | 0.85 | HTR2C (0.53) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24674699 | 0.85 | HTR2C (0.53) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24675535 | 0.85 | HTR2C (0.53) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31245234 | 0.84 | HTR2C (0.50) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31245027 | 0.83 | ALDH1A1 (0.49) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29271627 | 0.79 | HTR2C (0.47) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31245419 | 0.78 | HTR2C (0.45) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31245291 | 0.78 | HTR2C (0.45) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31245243 | 0.78 | ALDH1A1 (0.47) | HTR2CHTR2AALDH1A1CYP1A2CYP3A4 |
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-117083274-A | Fused ring heterocyclic derivative and application thereof in medicine | 四川海思科制药有限公司 | 2023-11-17 | — | — | CN | disclosed |
| WO-2022223022-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-10-27 | — | — | WO | disclosed |