Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17637404 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL17637334 | 0.99 | ALDH1A1 (0.46) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL17637331 | 0.94 | ALDH1A1 (0.47) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL17637359 | 0.89 | TYR (0.49) | ALDH1A1HSD17B10KDM4ETSHRALOX5 | |
| SCHEMBL17637442 | 0.89 | TYR (0.49) | ALDH1A1HSD17B10KDM4ETSHRALOX5 | |
| SCHEMBL17637358 | 0.89 | TYR (0.49) | ALDH1A1HSD17B10KDM4ETSHRALOX5 | |
| SCHEMBL17637378 | 0.89 | TYR (0.49) | ALDH1A1HSD17B10KDM4ETSHRALOX5 | |
| SCHEMBL17637428 | 0.89 | TYR (0.49) | ALDH1A1HSD17B10KDM4ETSHRALOX5 | |
| SCHEMBL21663119 | 0.89 | ALOX5 (0.39) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL17637376 | 0.88 | ALDH1A1 (0.49) | ALDH1A1HPGDHSD17B10KDM4ETSHR |
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-20170362506-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-12-21 | — | — | US | disclosed |
| US-20160090533-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-03-31 | — | — | 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-20160090533-A1 | LIQUID-CRYSTALLINE MEDIUM | VIM, FES, RAP2C | ALDH1A1 736/4885HPGD 3608/4885HSD17B10 2066/4885 |
“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.