Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7923507 | 0.85 | HRH4 (0.46) | KIF11ACHELMNAGAAHTT | |
| SCHEMBL13815894 | 0.84 | KIF11 (0.44) | KIF11ACHELMNAHTTSMN1; SMN2 | |
| SCHEMBL8210845 | 0.82 | KIF11 (0.49) | KIF11ACHELMNACES2CES1 | |
| SCHEMBL22932513 | 0.80 | ACHE (0.50) | KIF11ACHELMNACES2CES1 | |
| SCHEMBL20097903 | 0.79 | ACHE (0.50) | KIF11ACHELMNACES2CES1 | |
| SCHEMBL13930875 | 0.79 | KIF11 (0.46) | KIF11ACHELMNACES2CES1 | |
| SCHEMBL3435840 | 0.79 | KIF11 (0.46) | KIF11ACHELMNASMN1; SMN2CES2 | |
| SCHEMBL2285005 | 0.79 | CYP1A2 (0.43) | KIF11LMNAGAAHTTSMN1; SMN2 | |
| SCHEMBL8367527 | 0.79 | ACHE (0.48) | KIF11ACHELMNAHTTSMN1; SMN2 | |
| SCHEMBL2534644 | 0.79 | ACHE (0.48) | KIF11ACHELMNAHTTSMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003505358-A | — | — | 2003-02-12 | — | — | JP | claimed |
| EP-1196373-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-17 | — | — | EP | claimed |
| WO-2001005743-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2001-01-25 | — | — | WO | claimed |
| EP-1196373-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005743-A1 | 3-AMINO-2-BENZYL-1-PHENYL-PROPANE DERIVATIVES | Grünenthal GmbH (DE) | 2001-01-25 | — | — | WO | disclosed |