Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 4/20 | 0.60 |
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.59 |
| ▸ | CRHBP | P24387 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | CASP6 | P55212 | 1/20 | 0.58 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | TOP1 | P11387 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALB | P02768 | 1/20 | 0.55 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14078663 | 0.84 | CYP2C9 (0.72) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL14078661 | 0.84 | NQO1 (0.73) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL1647999 | 0.81 | CYP2C9 (0.66) | NQO1VKORC1CYP2C9KDM4EALDH1A1 | |
| SCHEMBL32659670 | 0.81 | VKORC1 (0.82) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL310481 | 0.81 | VKORC1 (0.82) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL4294895 | 0.78 | NQO1 (0.65) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL8042698 | 0.78 | CYP2C9 (0.86) | NQO1VKORC1CYP2C9TOP1KDM4E | |
| SCHEMBL18126686 | 0.77 | NQO1 (0.78) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL14172134 | 0.77 | NQO1 (0.68) | NQO1VKORC1CYP2C9CRHBPCASP7 | |
| SCHEMBL1648320 | 0.76 | ADORA3 (0.70) | NQO1VKORC1CYP2C9CRHBPCASP7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003050105-A2 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CHEMINOVA A/S (DK) | 2003-06-19 | — | — | WO | disclosed |