Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375903 | 0.80 | CA1 (0.55) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL11794387 | 0.78 | CA1 (0.54) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6942334 | 0.77 | MAPT (0.50) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6934444 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6938929 | 0.77 | MAPT (0.50) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL5846943 | 0.75 | ALDH1A1 (0.40) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6939750 | 0.74 | TSHR (0.42) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6940543 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CA1 | |
| SCHEMBL6676417 | 0.74 | CA1 (0.43) | ALDH1A1CA1MAPTKDM4EHPGD | |
| SCHEMBL6940261 | 0.74 | SLC6A3 (0.44) | ALDH1A1CA1MAPTKDM4EHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1253917-B1 | USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS | GRUENENTHAL GMBH (DE) | 2005-02-16 | — | — | EP | disclosed |
| EP-1253917-A2 | USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS | Grünenthal GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001047506-A2 | USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |