Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.52 |
| ▸ | RORB | Q92753 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2994499 | 0.85 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PIN1RORBKDM4E | |
| SCHEMBL923710 | 0.85 | KDM4E (0.67) | ALDH1A1SMN1; SMN2RORBKDM4EKMT2A | |
| SCHEMBL268411 | 0.84 | PIN1 (0.62) | ALDH1A1SMN1; SMN2PIN1KDM4EKMT2A | |
| SCHEMBL496186 | 0.82 | PIN1 (0.53) | ALDH1A1SMN1; SMN2PIN1KDM4EKMT2A | |
| SCHEMBL27837167 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RORBKDM4EKMT2A | |
| SCHEMBL924043 | 0.80 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2PIN1KDM4EKMT2A | |
| SCHEMBL496182 | 0.80 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2PIN1KDM4EKMT2A | |
| SCHEMBL1971006 | 0.80 | KDM4E (0.51) | ALDH1A1SMN1; SMN2PIN1RORBKDM4E | |
| SCHEMBL496585 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2PIN1KDM4EKMT2A | |
| SCHEMBL6233722 | 0.79 | RORB (0.47) | ALDH1A1SMN1; SMN2RORBXDHADORA1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101874030-B | Pyrrolidines and piperidines as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-101874028-B | 2-aza-bicyclo[3.3.0]octane derivatives | ACTELION PHARMACEUTICALS LTD | 2012-11-14 | — | — | CN | disclosed |
| CN-101568536-B | 2-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-12-28 | — | — | CN | disclosed |
| CN-101874030-A | Pyrrolidines and piperidines as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2010-10-27 | — | — | CN | disclosed |
| CN-101874028-A | 2-aza-bicyclo[3.3.0]octane derivatives | ACTELION PHARMACEUTICALS LTD | 2010-10-27 | — | — | CN | disclosed |
| CN-101790515-A | trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD | 2010-07-28 | — | — | CN | disclosed |
| CN-101711247-A | 2-cyclopropyl-thiazole derivatives | ACTELION PHARMACEUTICALS LTD | 2010-05-19 | — | — | CN | disclosed |
| CN-101568536-A | 2-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2009-10-28 | — | — | CN | disclosed |
| EP-1983980-A2 | THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | Synta Pharmaceuticals Corporation (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007087427-A2 | THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2007-08-02 | — | — | WO | disclosed |