Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | BCHE | P06276 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2430343 | 0.92 | KDM4E (0.60) | KDM4ETSHRESR1BCHECYP1A2 | |
| SCHEMBL108446 | 0.84 | KEAP1 (0.58) | KDM4EESR1CYP2D6CYP2C9 | |
| SCHEMBL8795720 | 0.84 | KEAP1 (0.62) | KDM4ECYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL2903758 | 0.82 | TSHR (0.56) | TSHRMAOBLTA4HCYP2D6 | |
| SCHEMBL1283876 | 0.81 | TSHR (0.64) | KDM4ETSHRESR1MAOB | |
| SCHEMBL6529839 | 0.81 | TSHR (0.63) | TSHRLTA4HCYP2D6 | |
| SCHEMBL8415743 | 0.81 | BCHE (0.67) | KDM4ETSHRESR1BCHEMAOB | |
| SCHEMBL2538910 | 0.80 | DHFR (0.54) | KDM4ETSHRMAOB | |
| SCHEMBL12408537 | 0.80 | PRSS1 (0.51) | KDM4ETSHRMAOB | |
| SCHEMBL25170047 | 0.80 | TSHR (0.66) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0758653-A1 | IMIDAZOQUINAZOLINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1997-02-19 | — | — | EP | disclosed |
| EP-0756598-A1 | SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS | THE DOW CHEMICAL COMPANY (a Delaware corporation) (US) | 1997-02-05 | — | — | EP | disclosed |
| WO-1995029181-A1 | SUBSTITUTED 5,6-DIHYDRO-5-OXO-1,4-DITHIINO-(2,3-D)-PYRIDAZINE-2,3-DICARBONITRILES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIALS | THE DOW CHEMICAL COMPANY (US) | 1995-11-02 | — | — | WO | disclosed |