Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 3/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20554639 | 0.87 | PIK3CA (0.45) | MAPK1CYP3A4PIK3CAALDH1A1HIF1A | |
| SCHEMBL9734150 | 0.83 | KMT2A (0.42) | MAPK1CYP3A4PIK3CAALDH1A1HIF1A | |
| SCHEMBL7300776 | 0.83 | TSHR (0.52) | MAPK1CYP3A4PIK3CAALDH1A1THRB | |
| SCHEMBL9717543 | 0.80 | HTT (0.53) | ALDH1A1THRBTHRAHTTMEN1 | |
| SCHEMBL10846560 | 0.78 | HSP90AB1 (0.53) | MAPK1CYP3A4PIK3CAALDH1A1HIF1A | |
| SCHEMBL20014212 | 0.78 | PIK3CA (0.56) | PIK3CAALDH1A1SHBGHPGDALOX15 | |
| SCHEMBL20554618 | 0.78 | PIK3CA (0.41) | PIK3CAALDH1A1HTTSHBGHSD17B10 | |
| SCHEMBL30132476 | 0.78 | PIK3CA (0.41) | PIK3CAALDH1A1HTTSHBGHSD17B10 | |
| SCHEMBL11603708 | 0.78 | HTT (0.58) | ALDH1A1THRBTHRAHTTMEN1 | |
| SCHEMBL10356111 | 0.78 | HTT (0.58) | ALDH1A1THRBTHRAHTTMEN1 |
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 3 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-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 |