Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.35 |
| ▸ | HRH2 | P25021 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4868353 | 0.76 | HRH3 (0.43) | HRH3TYMSNOS3NOS1NOS2 | |
| SCHEMBL4878240 | 0.73 | HRH4 (0.52) | HRH3ADORA2AADORA1HRH2HRH1 | |
| SCHEMBL4876209 | 0.73 | THRB (0.45) | ADORA2AADORA1 | |
| SCHEMBL604212 | 0.71 | HRH4 (0.62) | HRH3HRH2HRH1HRH4 | |
| SCHEMBL606190 | 0.70 | HRH4 (0.63) | HRH3HRH2HRH1HRH4 | |
| SCHEMBL2960591 | 0.68 | ADORA2A (0.60) | HRH3ADORA2AADORA1 | |
| SCHEMBL16822315 | 0.67 | HRH4 (0.43) | HRH3TYMSFGFR1FGFR2ADORA2A | |
| SCHEMBL4574773 | 0.65 | ADORA2A (0.39) | HRH3ADORA2AADORA1HRH2HRH1 | |
| SCHEMBL3134958 | 0.65 | HSP90AA1 (0.49) | HRH3ADORA2AADORA1HRH2HRH1 | |
| SCHEMBL17204947 | 0.64 | CHEK1 (0.53) | TYMSNOS3NOS1NOS2ADORA1 |
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-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | ABBVIE INC. | 2008-08-07 | — | — | 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-20080188452-A1 | Macrocyclic Benzofused Pyrimidine Derivatives | DPYD, TYMS, UMPS | HRH3 3492/4885TYMS 2/4885NOS3 3474/4885 |
“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.