Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 8/20 | 0.75 |
| ▸ | GSTA1 | P08263 | 6/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.75 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 2/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.75 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.75 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.75 |
| ▸ | HTT | P42858 | 1/20 | 0.75 |
| ▸ | RECQL | P46063 | 1/20 | 0.75 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.75 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.75 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.75 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| Ethacrynic Acid SCHEMBL29384243 | 0.86 | GSTP1 (1.00) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| Ethacrynic Acid SCHEMBL26353 | 0.86 | GSTP1 (1.00) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| Ethacrynic Acid SCHEMBL9108011 | 0.86 | GSTP1 (1.00) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL11604600 | 0.85 | CYP2C9 (0.67) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL11604597 | 0.85 | CYP2C9 (0.67) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| Ethacrynic Acid SCHEMBL2482896 | 0.85 | GSTP1 (0.97) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| Ethacrynic Acid SCHEMBL905726 | 0.85 | GSTP1 (0.97) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| Ethacrynic Acid SCHEMBL3713733 | 0.85 | GSTP1 (0.97) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL11603596 | 0.85 | GSTP1 (0.70) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL11604412 | 0.85 | GSTP1 (0.70) | GSTP1GSTA1CYP2C9ALDH1A1NPSR1 |
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-4625047-A | BRAIN OR SPINAL CORD TRAUMA TREATMENT | MERCK & CO., INC. (US) | 1986-11-25 | — | — | US | disclosed |
| US-4070539-A | DIURETICS, SALURETICS | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | disclosed |