Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPN | P05981 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | ABHD16A | O95870 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28726407 | 1.00 | HPN (0.49) | HPNCYP1A2SCN2AABHD16AMEN1 | |
| SCHEMBL28726452 | 0.84 | ABCC8 (0.44) | CYP1A2SCN2AMEN1MAPTKMT2A | |
| SCHEMBL28726413 | 0.80 | CYP1A2 (0.72) | CYP1A2MEN1MAPTKMT2AALDH1A1 | |
| SCHEMBL29624333 | 0.80 | CYP1A2 (0.72) | CYP1A2MEN1MAPTKMT2AALDH1A1 | |
| SCHEMBL28726576 | 0.80 | HPN (0.46) | HPNCYP1A2SCN2AABHD16AMEN1 | |
| SCHEMBL29624291 | 0.80 | HPN (0.46) | HPNCYP1A2SCN2AABHD16AMEN1 | |
| SCHEMBL28726423 | 0.79 | CYP1A2 (0.59) | CYP1A2ALDH1A1KDM4EPOLBTSHR | |
| SCHEMBL2619291 | 0.77 | CYP1A2 (0.49) | CYP1A2MEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL5328812 | 0.74 | HPN (0.58) | HPNSCN2AMEN1MAPTKMT2A | |
| SCHEMBL11594560 | 0.71 | FGFR1 (0.50) | HPNSCN2AABHD16AMEN1MAPT |
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-B | Method for synthesizing 3-trifluoro (difluoro) methyl-1, 2, 4-triazole-5-ketone compound | 福州大学 | 2022-04-26 | — | — | CN | disclosed |