Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 6/20 | 0.56 |
| ▸ | GSTA1 | P08263 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.56 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.56 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.56 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10031564 | 0.89 | GSTP1 (0.54) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL10001222 | 0.88 | GSTP1 (0.74) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL10031690 | 0.78 | GSTP1 (0.71) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL11603596 | 0.74 | GSTP1 (0.70) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| Ethacrynic Acid SCHEMBL42210 | 0.73 | GSTP1 (0.76) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL22260541 | 0.73 | GSTP1 (0.71) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| Ethacrynic Acid SCHEMBL26353 | 0.72 | GSTP1 (1.00) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL10014667 | 0.72 | GSTP1 (0.80) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| Ethacrynic Acid SCHEMBL9108011 | 0.72 | GSTP1 (1.00) | GSTP1GSTA1ALDH1A1HTTCYP2C9 | |
| SCHEMBL3713736 | 0.72 | GSTP1 (0.80) | GSTP1GSTA1ALDH1A1HTTCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8093427-B2 | Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid | NATIONAL TSING HUA UNIVERSITY (TW) | 2012-01-10 | — | — | US | disclosed |