Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 1.00 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30173447 | 0.85 | KCNH2 (0.73) | KCNH2NOS1DHFRMAOAMAOB | |
| SCHEMBL30746390 | 0.85 | KCNH2 (0.73) | KCNH2NOS1DHFRMAOAMAOB | |
| SCHEMBL8989813 | 0.85 | KCNH2 (0.73) | KCNH2NOS1DHFRMAOAMAOB | |
| SCHEMBL11672382 | 0.85 | KCNH2 (0.73) | KCNH2NOS1DHFRMAOAMAOB | |
| SCHEMBL1563917 | 0.85 | KCNH2 (0.73) | KCNH2NOS1DHFRMAOAMAOB | |
| SCHEMBL11818124 | 0.80 | KCNH2 (0.66) | KCNH2ALDH1A1ALOX15TDP1 | |
| SCHEMBL11818086 | 0.80 | KCNH2 (0.66) | KCNH2NOS1DHFRALDH1A1HPGD | |
| SCHEMBL28914699 | 0.80 | KCNH2 (0.66) | KCNH2NOS1DHFRALDH1A1HPGD | |
| SCHEMBL11818083 | 0.80 | KCNH2 (0.66) | KCNH2NOS1DHFRMAOAMAOB | |
| Bromide SCHEMBL11824204 | 0.79 | KCNH2 (0.63) | KCNH2NOS1DHFRALDH1A1HPGD |
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-1038877-B1 | Binaphthol monophosphoric acid derivative and its use | TOSOH CORP (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-6274745-B1 | CATALYST | TOSOH CORPORATION (JP) | 2001-08-14 | — | — | US | disclosed |
| EP-1038877-A1 | Binaphthol monophosphoric acid derivative and its use | Tosoh Corporation (JP) | 2000-09-27 | — | — | EP | disclosed |