Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 4/20 | 0.31 |
| ▸ | RAB9A | P51151 | 4/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9024849 | 0.96 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1BRD4TSHRHTR2A | |
| SCHEMBL13145564 | 0.88 | BRD4 (0.41) | SMN1; SMN2BRD4HTR2AHTR1ADRD2 | |
| SCHEMBL21614780 | 0.72 | BRD4 (0.41) | BRD4CYP1A2CYP2C9 | |
| SCHEMBL12094403 | 0.70 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1TSHRHTTNPC1 | |
| SCHEMBL21987985 | 0.69 | BRD4 (0.54) | BRD4HTR2AHTR1ADRD2 | |
| SCHEMBL5725151 | 0.68 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1BRD4HTR2ACYP1A2 | |
| SCHEMBL17895743 | 0.65 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1BRD4TSHRHTT | |
| SCHEMBL8866040 | 0.64 | ALDH1A1 (0.34) | SMN1; SMN2ALDH1A1BRD4TSHRNR3C1 | |
| SCHEMBL22316581 | 0.63 | BRD4 (0.45) | BRD4 | |
| SCHEMBL9445146 | 0.63 | HTR2A (0.50) | SMN1; SMN2ALDH1A1BRD4HTR2AMEN1 |
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 | SMN1; SMN2 567/4885ALDH1A1 247/4885BRD4 565/4885 |
“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.