Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 10/20 | 0.51 |
| ▸ | TOP1 | P11387 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SI | P14410 | 1/20 | 0.45 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GALK1 | P51570 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16896239 | 0.82 | NQO1 (0.50) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL16904616 | 0.77 | CYP2C9 (0.53) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL16904614 | 0.76 | CYP2C9 (0.43) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL1649800 | 0.74 | MAOA (0.52) | NQO1CYP2C9CRHBPCASP7CASP6 | |
| SCHEMBL1649847 | 0.73 | CYP2C9 (0.50) | NQO1CYP2C9CASP7KDM4EMEN1 | |
| SCHEMBL1651720 | 0.70 | CYP2C9 (0.68) | NQO1CYP2C9KDM4EMEN1ALDH1A1 | |
| SCHEMBL414250 | 0.70 | CYP2C9 (0.68) | NQO1CYP2C9KDM4EMEN1ALDH1A1 | |
| SCHEMBL16904605 | 0.69 | CYP2C9 (0.58) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL1650108 | 0.68 | ADORA3 (0.68) | NQO1CYP2C9GAAKDM4EALDH1A1 | |
| SCHEMBL16904609 | 0.68 | CYP2C9 (0.47) | NQO1TOP1CYP2C9CRHBPCASP7 |
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 |
|---|---|---|---|---|---|---|---|
| US-9561227-B2 | Inhibitors of multidrug resistance transporter P-glycoprotein | SOUTHERN METHODIST UNIVERSITY (US) | 2017-02-07 | — | — | US | disclosed |
| US-9561227-B2 | Inhibitors of multidrug resistance transporter P-glycoprotein | SOUTHERN METHODIST UNIVERSITY (US) | 2017-02-07 | — | — | US | disclosed |