Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.37 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.37 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604404 | 0.85 | KDM4E (0.46) | KDM4EMAPTMEN1KMT2AHTR2C | |
| SCHEMBL28586984 | 0.80 | CYP1A2 (0.45) | MEN1KMT2AHTR2CPTGS1DPP4 | |
| SCHEMBL28595328 | 0.80 | RXFP1 (0.39) | HTR2CDPP4LMNACYP3A4 | |
| SCHEMBL28584265 | 0.76 | HTR2A (0.49) | KDM4EMAPTHTR2CPDE4BPDE4D | |
| SCHEMBL29809202 | 0.76 | HTR2A (0.49) | KDM4EMAPTHTR2CPDE4BPDE4D | |
| SCHEMBL9922451 | 0.74 | KDM4E (0.49) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL31743094 | 0.74 | KDM4E (0.49) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL19675649 | 0.73 | KDM4E (0.48) | KDM4EMAPTMEN1KMT2AHTR2C | |
| SCHEMBL19610996 | 0.73 | KDM4E (0.48) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL15515240 | 0.73 | KDM4E (0.51) | KDM4EMAPTMEN1KMT2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112876413-B | Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative | 南开大学 | 2022-10-28 | — | — | CN | disclosed |
| CN-112876413-A | Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative | 南开大学 | 2021-06-01 | — | — | CN | disclosed |