Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11679134 | 0.98 | CHEK1 (0.38) | CHEK1DAPK3RETPDGFRBPIM1 | |
| SCHEMBL25454478 | 0.86 | TTR (0.50) | CHEK1DAPK3RETPDGFRBPIM1 | |
| SCHEMBL888409 | 0.84 | CYP2C19 (0.46) | CHEK1DAPK3RETPDGFRBPIM1 | |
| Hydrochloric Acid SCHEMBL4107889 | 0.83 | CYP2C19 (0.44) | CHEK1DAPK3RETPDGFRBPIM1 | |
| Bromide SCHEMBL11681378 | 0.83 | CYP2C19 (0.44) | CHEK1DAPK3RETPDGFRBPIM1 | |
| SCHEMBL11680518 | 0.80 | NPC1 (0.30) | NPC1MAPTRAB9ACNR1CNR2 | |
| Sulfuric Acid SCHEMBL11682511 | 0.78 | CYP2C19 (0.40) | CHEK1DAPK3RETPDGFRBPIM1 | |
| Phosphoric Acid SCHEMBL11680419 | 0.78 | CYP2C19 (0.40) | CHEK1DAPK3RETPDGFRBPIM1 | |
| SCHEMBL18244644 | 0.77 | CHEK1 (0.34) | CHEK1DAPK3RETPDGFRBPIM1 | |
| SCHEMBL10962626 | 0.76 | NPC1 (0.33) | CYP2C9HIF1AHSD17B10ESR1ESR2 |
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-4029816-A | ANTIHYPERTENSIVE, DIURETIC, SALURETIC | MERCK & CO., INC. (US) | 1977-06-14 | — | — | US | claimed |