Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4879399 | 0.87 | CTSL (0.43) | CTSLNPSR1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL4874208 | 0.83 | NPY5R (0.43) | PIK3CAMAOBTHRBADORA2AADORA1 | |
| SCHEMBL4870720 | 0.80 | DYRK1A (0.33) | PIK3CAMAOBDYRK1AHSP90AA1HSP90B1 | |
| SCHEMBL605569 | 0.74 | HRH4 (0.57) | HRH4 | |
| SCHEMBL30451384 | 0.70 | MAOB (0.50) | CTSLNPSR1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL69670 | 0.70 | MAOB (0.50) | CTSLNPSR1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL6754984 | 0.67 | CTSL (0.49) | CTSLNPSR1MAOBMAPTTHRB | |
| SCHEMBL6754981 | 0.67 | CTSL (0.49) | CTSLNPSR1MAOBMAPTTHRB | |
| SCHEMBL4879144 | 0.67 | NPY5R (0.43) | PIK3CAMAPTTHRBADORA2AADORA1 | |
| SCHEMBL18533270 | 0.66 | CTSL (0.48) | CTSLNPSR1PIK3CAPIK3CBPIK3CG |
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 | CTSL 2844/4885NPSR1 4769/4885PIK3CA 568/4885 |
“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.