Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2721067 | 0.79 | GPBAR1 (0.47) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL2723947 | 0.78 | PTGS2 (0.59) | GPBAR1LMNANPC1RAB9AL3MBTL1 | |
| SCHEMBL9956787 | 0.78 | HSP90AA1 (0.51) | GPBAR1LMNANPC1RAB9AL3MBTL1 | |
| SCHEMBL21780933 | 0.77 | HSP90AA1 (0.41) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL17845096 | 0.77 | PTGS1 (0.60) | GPBAR1LMNANPSR1ATMNPC1 | |
| SCHEMBL4549984 | 0.76 | PTGS2 (0.50) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL2723070 | 0.74 | TP53 (0.47) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL2721647 | 0.72 | PTGS2 (0.45) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL17845207 | 0.70 | GPBAR1 (0.49) | GPBAR1LMNANPSR1NPC1RAB9A | |
| SCHEMBL24661573 | 0.69 | DHODH (0.40) | GPBAR1LMNANPSR1ATML3MBTL1 |
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-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |