Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 10/20 | 0.52 |
| ▸ | RAF1 | P04049 | 4/20 | 0.48 |
| ▸ | BRAF | P15056 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14529903 | 0.90 | MDM2 (0.52) | ALDH1A1MDM2RAF1BRAFTP53 | |
| SCHEMBL21325286 | 0.86 | MDM2 (0.51) | ALDH1A1MDM2TP53MEN1KMT2A | |
| SCHEMBL21315496 | 0.84 | HDAC1 (0.53) | MDM2HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4784185 | 0.83 | TACR1 (0.43) | ALDH1A1MDM2RAF1BRAFTP53 | |
| SCHEMBL12934721 | 0.83 | MDM2 (0.42) | ALDH1A1MDM2RAF1BRAFTP53 | |
| SCHEMBL21324812 | 0.83 | MDM2 (0.62) | ALDH1A1MDM2RAF1BRAFMEN1 | |
| SCHEMBL12934875 | 0.78 | ALDH1A1 (0.49) | ALDH1A1MDM2RAF1BRAFTP53 | |
| SCHEMBL6618744 | 0.77 | KMT2A (0.49) | ALDH1A1MEN1CYP2C9TSHRCYP2C19 | |
| SCHEMBL12935298 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MDM2RAF1BRAFTSHR | |
| SCHEMBL2027394 | 0.76 | ALDH1A1 (0.72) | ALDH1A1MDM2RAF1BRAFTP53 |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8883816-B2 | Fused and spirocycle compounds and the use thereof | PURDUE PHARMA L.P. (US) | 2014-11-11 | — | — | US | disclosed |
| US-8883816-B2 | Fused and spirocycle compounds and the use thereof | PURDUE PHARMA L.P. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20140045875-A1 | Fused and Spirocycle Compounds and the Use Thereof | PURDUE PHARMA L.P. (US) | 2014-02-13 | — | — | US | disclosed |
| US-20140045875-A1 | Fused and Spirocycle Compounds and the Use Thereof | PURDUE PHARMA L.P. (US) | 2014-02-13 | — | — | US | disclosed |
| US-8546417-B2 | Fused and spirocycle compounds and the use thereof | PURDUE PHARMA L.P. (US) | 2013-10-01 | — | — | US | disclosed |
| US-8546417-B2 | Fused and spirocycle compounds and the use thereof | PURDUE PHARMA L.P. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120309778-A1 | Fused and Spirocycle Compounds and the Use Thereof | PURDUE PHARMA L.P. (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120309778-A1 | Fused and Spirocycle Compounds and the Use Thereof | PURDUE PHARMA L.P. (US) | 2012-12-06 | — | — | US | disclosed |
| EP-1817036-B1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMA (US) | 2012-07-04 | — | — | EP | disclosed |
| EP-1817036-B1 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMA (US) | 2012-07-04 | — | — | EP | disclosed |
| EP-1817036-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2007057775-A1 | SPIROPIPERIDINE DERIVATIVES | PFIZER LIMITED (GB) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007028638-A1 | FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF | EURO-CELTIQUE S.A. (LU) | 2007-03-15 | — | — | WO | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | NEUROGEN CORPORATION | 2007-03-01 | — | — | US | disclosed |
| WO-2007016496-A2 | DIPIPERAZINYL KETONES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2007016496-A2 | DIPIPERAZINYL KETONES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2007-02-08 | — | — | WO | disclosed |
| US-20060270653-A1 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED | 2006-11-30 | — | — | US | disclosed |
| WO-2006058303-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | 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 (4 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-20060270653-A1 | Modulators of muscarinic receptors | CHRM3, CHRM5, CHRM2 | ALDH1A1 2356/4885MDM2 2610/4885RAF1 3162/4885 |
| US-20120309778-A1 | Fused and Spirocycle Compounds and the Use Thereof | CACNA1A, CACNA1E, CACNA1C | ALDH1A1 1044/4885MDM2 2620/4885RAF1 1619/4885 |
| US-20070049571-A1 | Dipiperazinyl ketones and related analogues | HRH4, HRH3, HRH1 | ALDH1A1 1210/4885MDM2 2037/4885RAF1 2438/4885 |
| US-20140045875-A1 | Fused and Spirocycle Compounds and the Use Thereof | CACNA1A, CACNA1E, CACNA1C | ALDH1A1 1044/4885MDM2 2620/4885RAF1 1619/4885 |
“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.