Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | KIF11 | P52732 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1698191 | 0.85 | CYP2C9 (0.67) | KIF11LMNACYP1A2CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL8959000 | 0.83 | CYP2C9 (0.64) | KIF11LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7019811 | 0.80 | MEN1 (0.51) | CYP19A1KIF11HTTNPSR1LMNA | |
| SCHEMBL4747589 | 0.78 | HTT (0.53) | CYP19A1KIF11HTTNPSR1LMNA | |
| SCHEMBL5873436 | 0.76 | HTT (0.53) | CYP19A1KIF11HTTNPSR1LMNA | |
| SCHEMBL16454974 | 0.76 | ESR1 (0.52) | CYP19A1KIF11HTTNPSR1LMNA | |
| SCHEMBL7025430 | 0.76 | LTA4H (0.53) | KIF11HTTLMNACYP1A2CYP2C9 | |
| SCHEMBL4186835 | 0.73 | CYP1A2 (0.62) | CYP19A1KIF11LMNACYP1A2CYP2C9 | |
| SCHEMBL2864477 | 0.73 | TSHR (0.61) | CYP19A1KIF11HTTNPSR1LMNA | |
| SCHEMBL11511851 | 0.73 | TSHR (0.61) | CYP19A1KIF11HTTNPSR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1346767-A1 | Multifunctional catalyst useful in the synthesis of chiral vicinal diols and process for the preparation thereof | Council of Scientific and Industrial Research (IN) | 2003-09-24 | — | — | EP | disclosed |