Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | DDO | Q99489 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1771514 | 0.79 | CYP1A2 (0.63) | ALDH1A1HPGDALOX15KDM4EHTT | |
| SCHEMBL3062966 | 0.79 | RXFP1 (0.64) | ALDH1A1HSD17B10HPGDALOX15KDM4E | |
| SCHEMBL3067032 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HSD17B10HPGDALOX15KDM4E | |
| SCHEMBL11309637 | 0.73 | MAPT (0.51) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL29413080 | 0.68 | MEN1 (0.69) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL90504 | 0.68 | MEN1 (0.69) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| Carbazole SCHEMBL28852407 | 0.68 | ALDH1A1 (0.78) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL29459307 | 0.68 | KIF11 (0.58) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL6007652 | 0.68 | BCHE (0.61) | ALDH1A1HSD17B10HPGDKDM4EMAPT | |
| SCHEMBL157116 | 0.68 | KIF11 (0.58) | ALDH1A1HSD17B10HPGDKDM4EMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8399447-B2 | Metal triangulo compound and methods of using the same | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2013-03-19 | — | — | US | disclosed |
| US-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE | 2010-08-19 | — | — | US | disclosed |
| EP-2147005-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | National University of Singapore (SG) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008127197-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-10-23 | — | — | 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 (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-20100209431-A1 | METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME | CASP3, BAX, CASP7 | ALDH1A1 1447/4885HSD17B10 3305/4885HPGD 1967/4885 |
“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.