Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 9/20 | 0.66 |
| ▸ | THRA | P10827 | 4/20 | 0.66 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717551 | 0.99 | THRB (0.64) | THRBTHRACYSLTR2CYSLTR1CNR2 | |
| SCHEMBL9717518 | 0.95 | THRB (0.62) | THRBTHRACYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL9717557 | 0.88 | THRB (0.64) | THRBTHRACYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL20088746 | 0.83 | CYP2C9 (0.63) | THRBTHRAALDH1A1MEN1ABCC3 | |
| SCHEMBL31473172 | 0.83 | CYP2C9 (0.63) | THRBTHRAALDH1A1MEN1ABCC3 | |
| SCHEMBL31473173 | 0.83 | CYP2C9 (0.63) | THRBTHRAALDH1A1MEN1ABCC3 | |
| SCHEMBL11600926 | 0.82 | THRB (0.62) | THRBTHRAALDH1A1MEN1ABCC3 | |
| SCHEMBL9717593 | 0.81 | GSTP1 (0.71) | THRBTHRACYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL9717476 | 0.80 | GSTP1 (0.73) | THRBTHRACYSLTR2CYSLTR1ALDH1A1 | |
| SCHEMBL9717498 | 0.80 | GSTP1 (0.62) | THRBTHRACYSLTR2CYSLTR1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0240256-B1 | COMPOUNDS USEFUL IN TREATING SICKLE CELL ANEMIA | MERCK & CO. INC. (US) | 1992-04-29 | — | — | EP | disclosed |
| US-4731473-A | Compounds useful in treating sickle cell anemia | MERCK & CO., INC. (US) | 1988-03-15 | — | — | US | disclosed |
| US-4731381-A | Method of treating a person for sickle cell anemia | MERCK & CO., INC. (US) | 1988-03-15 | — | — | US | disclosed |
| US-4699926-A | Compounds useful in treating sickle cell anemia | MERCK & CO., INC. (US) | 1987-10-13 | — | — | US | disclosed |
| EP-0240256-A2 | Compounds useful in treating sickle cell anemia | MERCK & CO. INC. (US) | 1987-10-07 | — | — | EP | disclosed |