Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28379100 | 0.98 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL87947 | 0.98 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL29107614 | 0.98 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| Alcohol SCHEMBL28865888 | 0.93 | CYP2D6 (0.50) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL13104108 | 0.92 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL10453942 | 0.92 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL4740930 | 0.85 | CYP2D6 (0.43) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL28383147 | 0.84 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL15577104 | 0.83 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 | |
| SCHEMBL3726325 | 0.83 | CYP2D6 (0.44) | CYP2D6KMT2ACA1CA2CA4 |
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-8436005-B2 | Macrocyclic pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2013-05-07 | — | — | US | disclosed |
| US-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2009-10-08 | — | — | 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-20090253678-A1 | MACROCYCLIC PYRIMIDINE DERIVATIVES | DPYD, TYMS, TYMP | CYP2D6 950/4885KMT2A 2893/4885CA1 4806/4885 |
“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.