Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL21763650 | 0.83 | PIK3CD (0.38) | TSHRMCL1FAAHMMP1MMP2 | |
| SCHEMBL4083941 | 0.78 | CTSD (0.35) | TSHRHCRTR2CYP2D6ALDH1A1LMNA | |
| SCHEMBL3571283 | 0.75 | TSHR (0.40) | TSHRCYP2D6ALDH1A1CACNA1BLMNA | |
| SCHEMBL14499202 | 0.74 | MCL1 (0.43) | TSHRMCL1FAAHMMP1MMP2 | |
| SCHEMBL4049155 | 0.74 | ALDH1A1 (0.44) | TSHRMCL1FAAHMMP1MMP2 | |
| SCHEMBL24024200 | 0.74 | TDP1 (0.60) | TSHRLMNAHSD17B10BLMPMP22 | |
| SCHEMBL9654505 | 0.74 | TDP1 (0.60) | TSHRLMNAHSD17B10BLMPMP22 | |
| SCHEMBL19117435 | 0.74 | CYP2D6 (0.39) | TSHRCYP2D6ALDH1A1CACNA1BLMNA | |
| SCHEMBL3039287 | 0.74 | ALOX15 (0.42) | TSHRMCL1FAAHCYP2D6MMP1 | |
| SCHEMBL25623223 | 0.73 | TSHR (0.44) | TSHRCYP2D6ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7534891-B2 | Quinoline derivatives as H3R inverse agonists | HOFFMAN-LA ROCHE INC. (US) | 2009-05-19 | — | — | US | 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 (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-20060084679-A1 | Quinoline derivatives as H3R inverse agonists | HRH3, HRH4, HRH1 | TSHR 152/4885MCL1 2321/4885HCRTR2 37/4885 |
“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.