Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.42 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12829126 | 0.90 | GPR3 (0.38) | KIF11SMN1; SMN2ACHEGPR3CYP11B1 | |
| SCHEMBL12829129 | 0.81 | GPR3 (0.38) | KIF11GPR3CYP11B1CYP11B2AR | |
| SCHEMBL18265626 | 0.81 | KIF11 (0.35) | KIF11SMN1; SMN2GPR3CYP11B1CYP11B2 | |
| SCHEMBL12829127 | 0.81 | KIF11 (0.35) | KIF11SMN1; SMN2GPR3CYP11B1CYP11B2 | |
| SCHEMBL16604334 | 0.81 | KIF11 (0.47) | KIF11ALDH1A1SMN1; SMN2GPR3AR | |
| SCHEMBL14240857 | 0.79 | KIF11 (0.33) | KIF11GPR3 | |
| SCHEMBL17705290 | 0.78 | KIF11 (0.38) | KIF11ALDH1A1MAPTSMN1; SMN2ACHE | |
| SCHEMBL15773593 | 0.78 | CYP11B1 (0.35) | KIF11GPR3CYP11B1CYP11B2AR | |
| SCHEMBL13808368 | 0.77 | BCHE (0.41) | KIF11MAPTACHEGPR3GRIN2B | |
| SCHEMBL13808362 | 0.77 | BCHE (0.35) | KIF11ACHEGPR3CYP11B1CYP11B2 |
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-1542971-A1 | 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES | F. Hoffmann-La Roche Ltd. (CH) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004026826-A1 | 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-04-01 | — | — | WO | disclosed |