Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.53 |
| ▸ | KMO | O15229 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | RORB | Q92753 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL268411 | 0.85 | PIN1 (0.62) | ALDH1A1SMN1; SMN2PIN1KMOKMT2A | |
| SCHEMBL5048775 | 0.85 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2PIN1KMOKMT2A | |
| SCHEMBL923144 | 0.85 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2PIN1KMT2AMEN1 | |
| SCHEMBL3003054 | 0.82 | PIN1 (0.55) | SMN1; SMN2PIN1KMOKDM4ECYP1A2 | |
| SCHEMBL924043 | 0.81 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2PIN1KMOKMT2A | |
| SCHEMBL5133362 | 0.81 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2PIN1KMOKMT2A | |
| SCHEMBL28790263 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2PIN1KMOKMT2A | |
| SCHEMBL4068223 | 0.79 | KDM4E (0.51) | ALDH1A1SMN1; SMN2PIN1KMT2AMEN1 | |
| SCHEMBL1340229 | 0.79 | PIN1 (0.52) | PIN1KMOKMT2AMEN1HDAC6 | |
| SCHEMBL3009703 | 0.79 | PIN1 (0.50) | SMN1; SMN2PIN1KMOKMT2ARORB |
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 12 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 |
| US-8288411-B2 | Pyrrolidines and piperidines as orexin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-10-16 | — | — | US | 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 |
| US-20100197733-A1 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-08-05 | — | — | US | disclosed |
| CN-101790515-A | trans-3-aza-bicyclo[3.1.0]hexane derivatives | ACTELION PHARMACEUTICALS LTD | 2010-07-28 | — | — | CN | disclosed |
| EP-2207778-A2 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2010-07-21 | — | — | EP | 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 |
| WO-2009040730-A2 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-04-02 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100197733-A1 | PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR1, HCRTR2, NPY1R | ALDH1A1 1350/4885SMN1; SMN2 3120/4885PIN1 2018/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.