Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28078829 | 0.81 | HTR2A (0.36) | KDM1AMEN1KMT2AAKR1B1PGR | |
| SCHEMBL6876533 | 0.77 | PDE4B (0.34) | ALDH1A1MEN1KMT2APOLBTSHR | |
| SCHEMBL1093502 | 0.76 | HTR2A (0.37) | MEN1KMT2ATSHRHTR2AHTR2C | |
| SCHEMBL6493913 | 0.75 | PGR (0.47) | KDM1AALDH1A1AKR1B1POLBTSHR | |
| Hydrochloric Acid SCHEMBL23361913 | 0.73 | KDM1A (0.42) | KDM1ACTSDBACE1 | |
| Hydrochloric Acid SCHEMBL29804210 | 0.73 | KDM1A (0.42) | KDM1ACTSDBACE1 | |
| SCHEMBL28198035 | 0.72 | MEN1 (0.36) | ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL27432625 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2APOLBTSHR | |
| SCHEMBL27486590 | 0.72 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2APOLBTSHR | |
| SCHEMBL27573590 | 0.71 | CTSD (0.35) | ALDH1A1MEN1KMT2AAKR1B1POLB |
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-101679286-A | Bicyclic substituted pyrazolone azo derivative, preparation method thereof and application thereof in medicine | SHANGHAI HENGRUI PHARM CO LTD | 2010-03-24 | — | — | CN | disclosed |