Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8287013 | 0.76 | KDM4E (0.41) | KDM4EALOX15TSHRL3MBTL1CYP2C9 | |
| SCHEMBL11996161 | 0.76 | KDM4E (0.41) | KDM4EALOX15TSHRL3MBTL1CYP2C9 | |
| SCHEMBL28726393 | 0.75 | CYP1A2 (0.46) | CYP1A2ALDH1A1GAAHTTPTGS2 | |
| SCHEMBL28726409 | 0.67 | L3MBTL1 (0.52) | KDM4EL3MBTL1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11594068 | 0.65 | AVPR1A (0.51) | KDM4EALOX15TSHRMEN1KMT2A | |
| SCHEMBL11277462 | 0.65 | AVPR1A (0.51) | KDM4ETSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL27567953 | 0.65 | KDM4E (0.40) | KDM4EALOX15TSHRL3MBTL1CYP2C9 | |
| SCHEMBL5445031 | 0.64 | TDP1 (0.63) | KDM4EMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL5551503 | 0.64 | ALDH1A1 (0.70) | KDM4EL3MBTL1CYP2C9CYP2C19MEN1 | |
| SCHEMBL23877034 | 0.63 | PTGER4 (0.41) | KDM4EALOX15TSHRL3MBTL1CYP2C9 |
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-110194749-A | 3- trifluoro (difluoro) methyl-1, the synthetic method of 2,4- triazole -5- ketone compounds | 福州大学 | 2019-09-03 | — | — | CN | disclosed |