Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL441463 | 0.83 | MAPK1 (0.33) | CES2CES1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL443557 | 0.81 | ALDH1A1 (0.50) | CES2CES1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL2092525 | 0.80 | ALDH1A1 (0.35) | CES2CES1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL4806709 | 0.79 | KMT2A (0.41) | CES2CES1ALDH1A1GABRA1GABRG2 | |
| SCHEMBL6235866 | 0.79 | CASP3 (0.31) | — | |
| SCHEMBL4323616 | 0.79 | ALDH1A1 (0.50) | CES2CES1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL18547962 | 0.79 | SMN1; SMN2 (0.43) | ALDH1A1HPGDSMN1; SMN2KMT2APOLB | |
| SCHEMBL5465624 | 0.79 | ABL1 (0.42) | ALDH1A1SMN1; SMN2KMT2APOLBCA12 | |
| SCHEMBL1450340 | 0.78 | SMN1; SMN2 (0.37) | ALDH1A1HPGDSMN1; SMN2KMT2APOLB | |
| SCHEMBL7858414 | 0.78 | CA12 (0.42) | ALDH1A1HPGDKMT2APOLBCA12 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102264700-B | Can be used as the dihydropyridine keto-amide of the medicine for the treatment of autoimmunization and inflammatory diseases | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-19 | — | — | CN | disclosed |
| CN-102264702-B | Dihydropyridinone amides as P2X7 modulators | HOFFMANN LA ROCHE | 2015-03-25 | — | — | CN | disclosed |
| US-8735387-B2 | Oxazolopyrimidines as Edg-1 receptor agonists | SANOFI (FR) | 2014-05-27 | — | — | US | disclosed |
| EP-2684871-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8513425-B2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2354124-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2013-02-13 | — | — | EP | disclosed |
| CN-101563319-B | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE | 2012-09-05 | — | — | CN | disclosed |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | IYER PRAVIN (US) | 2012-03-15 | — | — | US | disclosed |
| US-8084623-B2 | heterocyclic ketones such as (3-Benzyl-pyrrolidin-3-yl)-(1H-indol-5-yl)-methanone, used as antidepressants or anxiolytic agents | ROCHE PALO ALTO LLC (US) | 2011-12-27 | — | — | US | disclosed |
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |
| US-20110190490-A1 | OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS | SANOFI-AVENTIS (FR) | 2011-08-04 | — | — | US | disclosed |
| CN-101563319-A | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2009-10-21 | — | — | CN | disclosed |
| EP-2102157-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | ROCHE PALO ALTO LLC | 2008-06-19 | — | — | US | 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 (3 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-20110190490-A1 | OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS | EDNRA, OXGR1, EDF1 | CES2 4365/4885CES1 2454/4885ALDH1A1 1007/4885 |
| US-20120065225-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES AND USES THEREOF | CNKSR1, RB1, AR | CES2 3504/4885CES1 2883/4885ALDH1A1 447/4885 |
| US-20080146607-A1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives and uses thereof | CNKSR1, RB1, AR | CES2 3504/4885CES1 2883/4885ALDH1A1 447/4885 |
“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.