Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28030529 | 0.81 | ADRB1 (0.56) | MEN1KMT2AHTR1AALDH1A1SMN1; SMN2 | |
| SCHEMBL6071251 | 0.78 | HTR2C (0.38) | HTR1ASLC6A2SLC6A4ALDH1A1KDM4E | |
| SCHEMBL28290840 | 0.77 | HTR6 (0.39) | HTR1ASLC6A2SLC6A4TSHRMGLL | |
| SCHEMBL10873929 | 0.77 | MGLL (0.37) | HTR1ATSHRMGLLCYP1A2CYP2C19 | |
| SCHEMBL28030092 | 0.77 | ADRB1 (0.58) | HTR1ASLC6A2SLC6A4ALDH1A1KDM4E | |
| SCHEMBL30093003 | 0.77 | EPHX2 (0.43) | MEN1KMT2ASLC6A2SLC6A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5766987 | 0.76 | ADRB1 (0.56) | HTR1AALDH1A1KDM4EPOLBTSHR | |
| SCHEMBL28030099 | 0.74 | HTR6 (0.59) | HTR1ASLC6A4ALDH1A1KDM4EPOLB | |
| SCHEMBL19187683 | 0.74 | ADRB1 (0.55) | HTR1ASLC6A2SLC6A4ALDH1A1KDM4E | |
| SCHEMBL28290905 | 0.74 | ALOX5 (0.59) | MEN1KMT2AHTR1ASLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061950-B | The manufacturing method of pyrazole compound | 住友化学株式会社 | 2019-05-03 | — | — | CN | disclosed |
| CN-104892615-B | Tetrahydro-pyrazole ketone triazin compound and preparation method and application | 河南农业大学 | 2017-04-05 | — | — | CN | disclosed |
| CN-104892615-A | Tetralin pyrazolone triazine compound as well as preparation method and application thereof | UNIV HENAN AGRICULTURAL | 2015-09-09 | — | — | CN | disclosed |