Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.64 |
| ▸ | CA9 | Q16790 | 3/20 | 0.64 |
| ▸ | CA2 | P00918 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | MAOB | P27338 | 5/20 | 0.61 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.61 |
| ▸ | GLA | P06280 | 4/20 | 0.61 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | CA3 | P07451 | 2/20 | 0.60 |
| ▸ | CA4 | P22748 | 2/20 | 0.60 |
| ▸ | CA6 | P23280 | 2/20 | 0.60 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL9057890 | 0.87 | CA2 (0.64) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL15842248 | 0.81 | ALDH1A1 (0.63) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL10305766 | 0.81 | ALDH1A1 (0.63) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL28724124 | 0.80 | CA12 (0.65) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL8787053 | 0.80 | ALDH1A1 (0.61) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL28081400 | 0.80 | ALDH1A1 (0.61) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL4041859 | 0.80 | CA12 (0.64) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL17768961 | 0.80 | ALDH1A1 (0.61) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL7513873 | 0.80 | GPR55 (0.67) | CA12CA9CA2CA1ALDH1A1 | |
| SCHEMBL5934958 | 0.79 | NPC1 (0.75) | CA2CA1MAOBMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168796-B2 | Fluorescent agent having ethynyl group | NIPPON CHEMICAL WORKS CO., LTD. (JP) | 2012-05-01 | — | — | US | disclosed |
| US-20100298573-A1 | FLUORESCENT AGENT HAVING ETHYNYL GROUP | NIPPON CHEMICAL WORKS CO., LTD (JP) | 2010-11-25 | — | — | US | disclosed |
| US-20100048604-A1 | Ligands for Aldoketoreductases | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2010-02-25 | — | — | US | disclosed |
| US-20100048604-A1 | Ligands for Aldoketoreductases | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2010-02-25 | — | — | US | disclosed |
| WO-1996012718-A1 | NOUVELLES 2-[1-(φ-PHENOXYALCOYLPIPERIDIN-4-YL)AMINOMETHYLENE]-2H-BENZOFURAN-3-ONES SUBSTITUEES, LEUR PREPARATION ET LEUR APPLICATION EN THERAPEUTIQUE | PIERRE FABRE MEDICAMENT (FR) | 1996-05-02 | — | — | WO | 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 (2 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-20100298573-A1 | FLUORESCENT AGENT HAVING ETHYNYL GROUP | IK, CCNE1, TAS2R45 | CA12 3937/4885CA9 3368/4885CA2 3181/4885 |
| US-20100048604-A1 | Ligands for Aldoketoreductases | AKR1C2, AKR1C1, AKR1B1 | CA12 4661/4885CA9 3686/4885CA2 4465/4885 |
“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.