Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.57 |
| ▸ | ATP4A | P20648 | 3/20 | 0.54 |
| ▸ | ATP4B | P51164 | 3/20 | 0.54 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL3772673 | 0.79 | CYP19A1 (0.58) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL30378574 | 0.79 | CYP19A1 (0.58) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL38240 | 0.79 | HSD17B10 (0.62) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL30123146 | 0.79 | HSD17B10 (0.62) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL27751529 | 0.78 | ATP4A (0.58) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL12067391 | 0.78 | CYP19A1 (0.57) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| Bromide SCHEMBL1915171 | 0.78 | HSD17B10 (0.61) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL4437476 | 0.78 | CYP19A1 (0.57) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL250308 | 0.74 | ATP4A (0.54) | CYP19A1ATP4AATP4BGSTO1NPC1 | |
| SCHEMBL12293365 | 0.74 | CYP19A1 (0.53) | CYP19A1ATP4AATP4BGSTO1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125758-A1 | COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS | IRM LLC (BM) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008103501-A1 | COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS | IRM LLC (BM) | 2008-08-28 | — | — | WO | disclosed |