Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL230331 | 0.74 | F12 (0.59) | ALDH1A1F12CYP1A2KDM4EGAA | |
| SCHEMBL3393854 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP1A2DRD2 | |
| SCHEMBL11783847 | 0.69 | ALDH1A1 (0.44) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL513869 | 0.69 | ALDH1A1 (0.48) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL20422073 | 0.69 | ALDH1A1 (0.38) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL19546228 | 0.69 | ALDH1A1 (0.38) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL9779136 | 0.69 | F12 (0.36) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL8079249 | 0.69 | ALDH1A1 (0.51) | ALDH1A1HSD17B10HPGDCYP1A2DRD2 | |
| SCHEMBL19514739 | 0.68 | ALDH1A1 (0.47) | ALDH1A1F12HSD17B10HPGDCYP1A2 | |
| SCHEMBL6547890 | 0.67 | ALDH1A1 (0.49) | ALDH1A1HSD17B10HPGDCYP1A2DRD2 |
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-20090252674-A1 | Tripodal Ligands with the Coordinating Motifs K2 -BH2 or K3 -BH3 Relevant for Biomedical Applications of Organometallic Complexes | MALLINCKRODT INC. (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-20090252674-A1 | Tripodal Ligands with the Coordinating Motifs K2 -BH2 or K3 -BH3 Relevant for Biomedical Applications of Organometallic Complexes | BID, BAK1, BCL2L1 | ALDH1A1 4414/4885F12 2074/4885CA12 2087/4885 |
“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.