Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.76 |
| ▸ | TSHR | P16473 | 8/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27477853 | 0.94 | CYP2D6 (0.74) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL31717590 | 0.92 | CYP2D6 (0.72) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL14026996 | 0.86 | TSHR (0.88) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL13818182 | 0.86 | CYP2D6 (1.00) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL31230946 | 0.85 | CYP2D6 (0.61) | CYP2D6TSHRCYP3A4CYP2C19MEN1 | |
| SCHEMBL3464617 | 0.85 | CYP2D6 (0.61) | CYP2D6TSHRCYP3A4CYP2C19MEN1 | |
| SCHEMBL1426377 | 0.84 | CYP2D6 (0.67) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL31230966 | 0.83 | CYP2D6 (0.59) | CYP2D6TSHRCYP3A4CYP2C19MEN1 | |
| SCHEMBL4589959 | 0.83 | CYP2D6 (0.83) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 | |
| Hydrochloric Acid SCHEMBL27162018 | 0.81 | CYP2D6 (0.81) | CYP2D6TSHRCYP3A4ALDH1A1CYP2C19 |
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 | CYP2D6 558/4885TSHR 4607/4885CYP3A4 653/4885 |
“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.