Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | USP7 | Q93009 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28936052 | 0.93 | CYP2A6 (0.54) | GRM5CYP2A6MAPK14ABL1CCR1 | |
| SCHEMBL21662368 | 0.91 | GRM5 (0.42) | GRM5CYP2A6MAPK14ABL1CCR1 | |
| SCHEMBL19794394 | 0.89 | KDM4E (0.52) | GRM5CYP2A6MAPK14CCR1CCR5 | |
| SCHEMBL18573263 | 0.88 | CCR1 (0.53) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL25070279 | 0.86 | TGFBR1 (0.49) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL21662242 | 0.85 | TRPV1 (0.41) | GRM5MAPK14ABL1PDK2 | |
| SCHEMBL19500914 | 0.85 | GRM5 (0.58) | GRM5CYP2A6MAPK14ABL1CCR1 | |
| SCHEMBL21125566 | 0.83 | CYP2A6 (0.46) | GRM5CYP2A6MAPK14CCR1CCR5 | |
| SCHEMBL19933801 | 0.81 | KDM4E (0.52) | GRM5CYP2A6CCR1CCR5CCR8 | |
| SCHEMBL19933595 | 0.81 | GRM5 (0.49) | GRM5CYP2A6CCR1CCR5CCR8 |
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 | GRM5 3836/4885CYP2A6 2084/4885MAPK14 4717/4885 |
“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.