Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2167222 | 0.78 | HRH4 (0.57) | BCHEHRH4DRD4KDM4ENPC1 | |
| SCHEMBL4876581 | 0.75 | HRH4 (0.54) | BCHEHRH4KDM4ENPC1MAPT | |
| SCHEMBL605447 | 0.75 | HRH4 (0.70) | BCHEHRH4CYP1A2CYP3A4HRH1 | |
| SCHEMBL4874187 | 0.71 | ALDH1A1 (0.47) | BCHEHRH4TACR3IKBKBNPSR1 | |
| SCHEMBL4588982 | 0.69 | HRH4 (0.57) | BCHEHRH4KDM4ENPC1MAPT | |
| SCHEMBL12330249 | 0.69 | CYP1A2 (0.62) | IKBKBKDM4EMAPTCYP1A2CYP3A4 | |
| SCHEMBL15450799 | 0.68 | NPY5R (0.51) | BCHEHRH4DRD4TACR3KDM4E | |
| SCHEMBL4875418 | 0.66 | BCHE (0.55) | BCHEHRH4DRD4KDM4ENPC1 | |
| SCHEMBL14197519 | 0.66 | HRH4 (0.60) | BCHEHRH4DRD4KDM4ENPC1 | |
| SCHEMBL12631551 | 0.66 | BCHE (0.70) | BCHEDRD4TACR3KDM4EMAPT |
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 | BCHE 1235/4885HRH4 3013/4885DRD4 4364/4885 |
“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.