Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.51 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CCR3 | P51677 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL735072 | 1.00 | ALDH1A1 (0.54) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL1188949 | 0.85 | FUCA1 (0.53) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL16862697 | 0.83 | CYP2D6 (0.56) | ALDH1A1OPRL1CYP3A4HSD17B10POLB | |
| SCHEMBL4481641 | 0.83 | OPRL1 (0.54) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL5155047 | 0.83 | OPRL1 (0.54) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL16659923 | 0.83 | OPRL1 (0.54) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL14702321 | 0.83 | ALDH1A1 (0.53) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL17028504 | 0.80 | OPRL1 (0.51) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL19147351 | 0.80 | ALDH1A1 (0.50) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 | |
| SCHEMBL18309948 | 0.80 | OPRL1 (0.51) | ALDH1A1FUCA1OPRL1CYP3A4HSD17B10 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2491022-B1 | DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | HOFFMANN LA ROCHE (CH) | 2014-12-31 | — | — | EP | disclosed |
| EP-2307387-B1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | HOFFMANN LA ROCHE (CH) | 2013-11-20 | — | — | EP | disclosed |
| US-8445674-B2 | Heterocyclyl compounds | Hoffmann-La Roche Inc (US) | 2013-05-21 | — | — | US | disclosed |
| EP-2491022-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2012-08-29 | — | — | EP | disclosed |
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| US-8071586-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8063042-B2 | Heterocyclic compounds | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2011048032-A1 | DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-28 | — | — | WO | disclosed |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2011-04-21 | — | — | US | disclosed |
| EP-2307387-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| EP-2220055-A2 | NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-08-25 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | US | disclosed |
| WO-2010006938-A1 | NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-21 | — | — | WO | disclosed |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-21 | — | — | US | disclosed |
| US-20090023713-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2009-01-22 | — | — | US | disclosed |
| WO-2009010429-A2 | NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-01-22 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | ALDH1A1 2750/4885FUCA1 4659/4885OPRL1 60/4885 |
| US-20090023713-A1 | HETEROCYCLIC COMPOUNDS | CCR5, CCR3, CCR2 | ALDH1A1 2364/4885FUCA1 4506/4885OPRL1 52/4885 |
| US-20100016282-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | ALDH1A1 2648/4885FUCA1 4559/4885OPRL1 63/4885 |
| US-20110092698-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR1 | ALDH1A1 2451/4885FUCA1 3894/4885OPRL1 85/4885 |
“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.