Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 9/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 9/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 9/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 9/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13132270 | 0.84 | TDO2 (0.50) | TDO2NOS1MAOB | |
| SCHEMBL12664045 | 0.81 | NOS1 (0.40) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL17277752 | 0.79 | NOS1 (0.43) | NOS1IDO1MAOBGRK2 | |
| SCHEMBL1759083 | 0.77 | TTR (0.46) | TDO2NOS1IDO1MAOB | |
| SCHEMBL12647460 | 0.75 | NOS1 (0.40) | TDO2NOS1IDO1MAOBGRK2 | |
| SCHEMBL7002241 | 0.74 | MAOB (0.48) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL9327839 | 0.73 | STAT3 (0.43) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL25258601 | 0.72 | ROCK2 (0.39) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL31171850 | 0.72 | ROCK2 (0.39) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7971294 | 0.72 | ESR1 (0.51) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203058-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-06-29 | — | — | 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-20230203058-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | ENTPD1, SLC29A1, ENTPD5 | GABRA1 2099/4885GABRG2 3683/4885GABRB3 3069/4885 |
“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.