Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3143376 | 0.79 | HRH4 (0.32) | ADORA1ADORA2AHRH3HRH2KDM4E | |
| SCHEMBL3137557 | 0.76 | TDP1 (0.38) | KDM4EALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL3133877 | 0.74 | NOS2 (0.38) | ADORA2AHRH3HRH2KDM4ERAB9A | |
| SCHEMBL2167222 | 0.72 | HRH4 (0.57) | ADORA1ADORA2AHRH3HRH2KDM4E | |
| SCHEMBL604986 | 0.72 | HRH4 (0.57) | HRH3HRH2MAPTNPSR1HRH4 | |
| Hydrochloric Acid SCHEMBL3147716 | 0.72 | HRH4 (0.56) | HRH3HRH2MAPTNPSR1HRH4 | |
| SCHEMBL4876581 | 0.70 | HRH4 (0.54) | ADORA1ADORA2AHRH3HRH2KDM4E | |
| SCHEMBL4868863 | 0.67 | HRH4 (0.42) | ADORA1ADORA2AHRH3HRH2KDM4E | |
| SCHEMBL4877385 | 0.67 | HRH4 (0.62) | ADORA2AHRH3HRH2NPC1HRH4 | |
| SCHEMBL3147153 | 0.67 | NPC1 (0.51) | KDM4EALDH1A1RAB9ASMN1; SMN2MEN1 |
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 | ADORA1 321/4885ADORA2A 189/4885HRH3 1407/4885 |
“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.