Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GALK1 | P51570 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5860453 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL30229819 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL28529430 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL28012310 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7252936 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7996888 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL6329142 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7039658 | 0.81 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4068167 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4094244 | 0.81 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CA12CA1CA2 |
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-20160215004-A1 | A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF | LG CHEM, LTD. (KR) | 2016-07-28 | — | — | 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-20160215004-A1 | A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF | CD40LG, OSTC, TNFSF10 | ALDH1A1 2895/4885CYP2A6 1587/4885CA12 2676/4885 |
“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.