Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4875280 | 0.83 | HPGD (0.39) | HPGDNPSR1ADORA2AADORA1NPY5R | |
| SCHEMBL4588982 | 0.76 | HRH4 (0.57) | NPSR1ADORA2AADORA1SMN1; SMN2HRH4 | |
| SCHEMBL607367 | 0.75 | HRH4 (0.67) | HRH4HRH3HRH2HRH1 | |
| SCHEMBL4879144 | 0.74 | NPY5R (0.43) | ADORA2AADORA1SMN1; SMN2NPY5RHRH4 | |
| SCHEMBL4876581 | 0.74 | HRH4 (0.54) | NPSR1ADORA2AADORA1HRH4HRH3 | |
| SCHEMBL2167222 | 0.74 | HRH4 (0.57) | NPSR1ADORA2AADORA1NPY5RHRH4 | |
| SCHEMBL606066 | 0.72 | HRH4 (0.67) | HRH4HRH3HRH2HRH1 | |
| SCHEMBL605000 | 0.72 | HRH4 (0.67) | HRH4HRH3HRH2HRH1 | |
| SCHEMBL4879618 | 0.71 | POLB (0.47) | ADORA2AADORA1HRH4HRH3HRH2 | |
| SCHEMBL605713 | 0.69 | HRH4 (0.69) | HRH4HRH3HRH2HRH1 |
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 | HPGD 175/4885NPSR1 4769/4885ADORA2A 1517/4885 |
“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.