Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21662223 | 0.87 | HSD11B1 (0.47) | ALDH1A1MAPK1CYP2A6HSD11B1PTGS1 | |
| SCHEMBL21662227 | 0.86 | MAPK1 (0.50) | ALDH1A1MAPK1CYP2A6HSD11B1PTGS1 | |
| SCHEMBL21662218 | 0.79 | CYP2A6 (0.54) | ALDH1A1MAPK1CYP2A6HSD11B1KMT2A | |
| SCHEMBL21662269 | 0.76 | CYP2A6 (0.53) | ALDH1A1MAPK1CYP2A6HSD11B1PTGS1 | |
| SCHEMBL21662228 | 0.75 | HSD11B1 (0.50) | ALDH1A1MAPK1CYP2A6HSD11B1KMT2A | |
| SCHEMBL21662178 | 0.74 | CYP2A6 (0.39) | ALDH1A1MAPK1CYP2A6HSD11B1PTGS2 | |
| SCHEMBL21662357 | 0.74 | MAPK1 (0.55) | ALDH1A1MAPK1CYP2A6HSD11B1KMT2A | |
| SCHEMBL21662226 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPK1CYP2A6HSD11B1KMT2A | |
| SCHEMBL21662007 | 0.74 | HSD11B1 (0.46) | ALDH1A1MAPK1CYP2A6HSD11B1KMT2A | |
| SCHEMBL21662351 | 0.74 | HSD11B1 (0.46) | ALDH1A1MAPK1CYP2A6HSD11B1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3601257-B1 | AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| US-20200039903-A1 | AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-02-06 | — | — | 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-20200039903-A1 | AROMATIC COMPOUNDS | PAH, ALG3, DDC | ALDH1A1 666/4885MAPK1 4452/4885CYP2A6 2084/4885 |
“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.