Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA7 | P43166 | 4/20 | 0.50 |
| ▸ | CA9 | Q16790 | 4/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2002271 | 0.89 | CYP1A2 (0.49) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8001647 | 0.86 | CYP1A2 (0.56) | CYP1A2ALDH1A1SMN1; SMN2MAOBHSD17B14 | |
| SCHEMBL2004639 | 0.86 | ESR2 (0.52) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL14793758 | 0.86 | ESR1 (0.52) | CYP1A2ALDH1A1SMN1; SMN2ESR1HSD17B14 | |
| SCHEMBL2001591 | 0.84 | ALDH1A1 (0.65) | CYP1A2ALDH1A1SMN1; SMN2TSHRKDM4E | |
| SCHEMBL28428697 | 0.84 | TSHR (0.64) | CYP1A2ALDH1A1SMN1; SMN2TSHRKDM4E | |
| SCHEMBL1208379 | 0.84 | CYP1A2 (0.53) | CYP1A2ALDH1A1SMN1; SMN2TSHRKDM4E | |
| SCHEMBL4163337 | 0.83 | HSD17B14 (0.50) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL28434347 | 0.82 | KDM4E (0.65) | CYP1A2CA12CA2CA7CA9 | |
| SCHEMBL28428705 | 0.81 | CYP1A2 (0.50) | CYP1A2ALDH1A1SMN1; SMN2MAOBTSHR |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1805166-B1 | QUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-07-27 | — | — | EP | disclosed |
| EP-1805166-B1 | QUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2011-07-27 | — | — | EP | disclosed |
| US-20100004271-A1 | HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR | KARO BIO AB (SE) | 2010-01-07 | — | — | US | disclosed |
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | disclosed |
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | disclosed |
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | disclosed |
| EP-1899309-A1 | HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR | KARO BIO AB (SE) | 2008-03-19 | — | — | EP | disclosed |
| EP-1805166-A1 | QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-11 | — | — | EP | disclosed |
| WO-2007003419-A1 | HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR | KARO BIO AB (SE) | 2007-01-11 | — | — | WO | disclosed |
| WO-2006045416-A1 | QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | disclosed |
| US-20060084679-A1 | Quinoline derivatives as H3R inverse agonists | HOFFMANN-LA ROCHE INC. | 2006-04-20 | — | — | 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 (2 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-20060084679-A1 | Quinoline derivatives as H3R inverse agonists | HRH3, HRH4, HRH1 | CYP1A2 717/4885CA12 4366/4885CA1 2686/4885 |
| US-20100004271-A1 | HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR | TSHR, GHSR, TRHR | CYP1A2 456/4885CA12 1036/4885CA1 1020/4885 |
“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.