Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL17169027 | 0.91 | ROCK1 (0.39) | ALDH1A1ROCK1HSD17B10KDM4EHPGD | |
| SCHEMBL17952986 | 0.90 | RXRA (0.33) | HPGDPOLBNPSR1PKMHTR7 | |
| SCHEMBL17952993 | 0.87 | ALDH1A1 (0.35) | ALDH1A1ROCK1HSD17B10HPGDLMNA | |
| SCHEMBL19336699 | 0.85 | ALDH1A1 (0.37) | ALDH1A1ROCK1HSD17B10KDM4EHPGD | |
| SCHEMBL17952991 | 0.85 | ROCK1 (0.35) | ALDH1A1ROCK1HSD17B10KDM4EHPGD | |
| SCHEMBL17082250 | 0.84 | ALDH1A1 (0.39) | ALDH1A1ROCK1HSD17B10KDM4EHPGD | |
| SCHEMBL17082249 | 0.82 | ALDH1A1 (0.38) | ALDH1A1ROCK1HSD17B10LMNAHTT | |
| SCHEMBL17952995 | 0.82 | ROCK1 (0.35) | ALDH1A1ROCK1HSD17B10KDM4EHPGD | |
| SCHEMBL17952988 | 0.81 | ROCK1 (0.34) | ALDH1A1ROCK1HSD17B10LMNAHTT | |
| SCHEMBL5084813 | 0.80 | PDCD1 (0.39) | ALDH1A1HSD17B10HPGDLMNAMAPK1 |
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-9790240-B2 | Ligand compound, a preparation method thereof, a transition metal compound, and a preparation method thereof | LG CHEM, LTD. (KR) | 2017-10-17 | — | — | US | disclosed |
| 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 2895/4885ROCK1 3232/4885HSD17B10 3023/4885 |
“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.