Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14271369 | 0.78 | ADORA2A (0.57) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL4574773 | 0.76 | ADORA2A (0.39) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL14271361 | 0.75 | ADORA2A (0.40) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL14271368 | 0.74 | ADORA2A (0.51) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL4878053 | 0.74 | HRH4 (0.62) | HRH4HRH2HRH1HRH3 | |
| SCHEMBL14271211 | 0.73 | ADORA2A (0.50) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL31629783 | 0.65 | ADORA2A (0.39) | ADORA2AADORA1KDM4EALDH1A1POLB | |
| SCHEMBL8289410 | 0.65 | ADORA2A (0.60) | ADORA2AADORA1ALDH1A1HRH3MAOA | |
| SCHEMBL4868353 | 0.63 | HRH3 (0.43) | ADORA2AADORA1HRH4HRH2HRH1 | |
| SCHEMBL27165267 | 0.61 | MAOA (0.43) | KDM4EALDH1A1MAOAMAOBKMT2A |
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 | ADORA2A 1517/4885ADORA1 2541/4885KDM4E 1709/4885 |
“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.