Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6515650 | 0.75 | PTGS2 (0.42) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL6519028 | 0.74 | HTR3A (0.34) | MAPTNPC1RAB9A | |
| SCHEMBL3207601 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL9446303 | 0.72 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL6971095 | 0.70 | CA2 (0.54) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL6971100 | 0.70 | CA2 (0.54) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL4224731 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL4220212 | 0.70 | AQP1 (0.41) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL4621704 | 0.69 | CA2 (0.43) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 | |
| SCHEMBL4621993 | 0.69 | CA2 (0.43) | ALDH1A1CYP3A4CYP2D6TSHRCYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050239767-A1 | Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands | NATIONAL SCIENCE FOUNDATION | 2005-10-27 | — | — | 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-20050239767-A1 | Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands | TECR, PAICS, DCXR | ALDH1A1 1812/4885CYP3A4 51/4885CYP2D6 852/4885 |
“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.