Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 4/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | EDNRB | P24530 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6536543 | 0.81 | PDK2 (0.36) | KCNN4PTPN1ESR2HSD17B1HSD17B2 | |
| SCHEMBL4962847 | 0.77 | CYP19A1 (0.41) | CYP19A1KIF11PARP1CHRM3 | |
| Benzene SCHEMBL27568485 | 0.74 | KIF11 (0.40) | KCNN4PTPN1KIF11ESR2 | |
| SCHEMBL723986 | 0.74 | KIF11 (0.40) | KCNN4PTPN1KIF11ESR2 | |
| Ammonia Solution, Strong SCHEMBL2816571 | 0.71 | KIF11 (0.38) | KCNN4PTPN1KIF11ESR2 | |
| SCHEMBL11597249 | 0.70 | KCNN4 (0.55) | KCNN4MGLLCYP19A1PTPN1KIF11 | |
| SCHEMBL8016450 | 0.70 | KCNN4 (0.38) | KCNN4CHRM3 | |
| SCHEMBL9085801 | 0.69 | KCNN4 (0.46) | KCNN4CYP19A1PTPN1KIF11ACHE | |
| Boric Acid SCHEMBL1987479 | 0.69 | CES2 (0.50) | KCNN4CES2CES1ACHEPTGS1 | |
| SCHEMBL8718917 | 0.68 | PDK2 (0.33) | PTGS1PTGS2 |
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-1032576-B1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | CIBA SC HOLDING AG (CH) | 2008-01-16 | — | — | EP | disclosed |
| EP-1032576-A1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON $g(a)-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | Ciba SC Holding AG (CH) | 2000-09-06 | — | — | EP | disclosed |
| WO-1998038195-A1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON α-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-09-03 | — | — | WO | disclosed |