Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27361851 | 0.83 | LOXL2 (0.41) | — | |
| SCHEMBL934740 | 0.83 | LTB4R (0.46) | AOC3ATRMPOCYP2D6MAPKAPK2 | |
| SCHEMBL29769271 | 0.80 | ATR (0.40) | AOC3ATRCYP2D6ADORA2AADORA1 | |
| SCHEMBL23440398 | 0.76 | LTB4R (0.41) | AOC3ATRMPOCYP2D6ADORA2A | |
| SCHEMBL557824 | 0.73 | APP (0.51) | ADORA2AADORA1 | |
| SCHEMBL12198520 | 0.73 | ATR (0.49) | ATRADORA2AADORA1NOS1KDM4E | |
| SCHEMBL27870217 | 0.73 | HTT (0.33) | ATR | |
| SCHEMBL3956502 | 0.71 | HPGD (0.49) | CYP2D6ADORA2AADORA1 | |
| SCHEMBL7418341 | 0.70 | HTT (0.37) | ATRMAPKAPK2 | |
| SCHEMBL14703937 | 0.70 | HTT (0.37) | ATRMAPKAPK2 |
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-9062008-B2 | Compounds useful as inhibitors of ATR kinase | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-06-23 | — | — | US | disclosed |
| US-20120035408-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-09 | — | — | 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-20120035408-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | ATR, CHEK1, MAP3K5 | MAOA 3377/4885MAOB 3120/4885AOC3 4311/4885 |
“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.