Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GRN | P28799 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28025576 | 0.83 | PSEN1 (0.37) | MAT2AHPGDLMNAKMT2ASMN1; SMN2 | |
| SCHEMBL28957164 | 0.75 | SMN1; SMN2 (0.54) | PTGS1CYP1A2ALDH1A1LMNAKMT2A | |
| SCHEMBL28218668 | 0.75 | TSHR (0.54) | PTGS1MAPK1CYP1A2ALDH1A1LMNA | |
| SCHEMBL27834803 | 0.73 | MAT2A (0.37) | MAT2AHPGDSMN1; SMN2 | |
| SCHEMBL27403432 | 0.70 | PTGS1 (0.34) | KDM4EPTGS1CYP1A2ALDH1A1HPGD | |
| SCHEMBL31326899 | 0.70 | PTGS2 (0.36) | KDM4EPTGS1ALDH1A1PTGS2CCNE2 | |
| SCHEMBL31326894 | 0.70 | PTGS2 (0.36) | KDM4EPTGS1ALDH1A1PTGS2CCNE2 | |
| SCHEMBL16991801 | 0.70 | PDE4A (0.37) | — | |
| SCHEMBL27941610 | 0.69 | XPO1 (0.35) | — | |
| SCHEMBL21849221 | 0.69 | PTGS1 (0.44) | KDM4EPTGS1BRAFCYP1A2ALDH1A1 |
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-103664811-B | (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof | IHARA CHEMICAL IND CO. (JP) | 2015-09-16 | — | — | CN | disclosed |