Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | SLC6A15 | Q9H2J7 | 1/20 | 0.36 |
| ▸ | PTAFR | P25105 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL26120675 | 0.92 | P2RX7 (0.39) | P2RX7SLC6A15PTAFRALDH1A1TSHR | |
| SCHEMBL30557077 | 0.92 | P2RX7 (0.39) | P2RX7SLC6A15PTAFRALDH1A1TSHR | |
| SCHEMBL3312236 | 0.82 | HDAC1 (0.46) | P2RX7ADORA2AHDAC1HDAC6ALDH1A1 | |
| SCHEMBL30558705 | 0.82 | HDAC1 (0.46) | P2RX7ADORA2AHDAC1HDAC6ALDH1A1 | |
| SCHEMBL2171208 | 0.81 | P2RX7 (0.37) | P2RX7HDAC1HDAC6PTAFRALDH1A1 | |
| SCHEMBL2877908 | 0.78 | HRH1 (0.45) | SLC6A15ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2166539 | 0.78 | NPC1 (0.44) | ALDH1A1TSHRMEN1KMT2AIDH1 | |
| SCHEMBL27674615 | 0.75 | KDM4E (0.40) | P2RX7PTAFRALDH1A1TSHRMEN1 | |
| SCHEMBL4875547 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1TSHRIDH1 | |
| SCHEMBL14720083 | 0.74 | TBXAS1 (0.47) | P2RX7ALDH1A1 |
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-8546410-B2 | Heteroaryl-fused macrocyclic pyrimidine derivatives | ABBVIE INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-01-07 | — | — | 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-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | CDK2, DPYD, CCNB1 | P2RX7 846/4885ADORA2A 189/4885HDAC1 468/4885 |
“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.