Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | PGK1 | P00558 | 1/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GALR2 | O43603 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | GLP1R | P43220 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9304375 | 0.84 | ALDH1A1 (0.51) | ALDH1A1LMNAPGK1PIM3GAA | |
| SCHEMBL9306173 | 0.76 | ALDH1A1 (0.45) | ALDH1A1LMNAPGK1PIM3GAA | |
| SCHEMBL17385266 | 0.74 | ALDH1A1 (0.46) | ALDH1A1LMNAPGK1GAAGALR2 | |
| SCHEMBL9306087 | 0.74 | ALDH1A1 (0.42) | ALDH1A1LMNAPGK1PIM3POLB | |
| SCHEMBL9305196 | 0.73 | GAA (0.51) | ALDH1A1LMNAPGK1PIM3GAA | |
| SCHEMBL9306093 | 0.73 | ALDH1A1 (0.41) | ALDH1A1LMNAPGK1PIM3POLB | |
| SCHEMBL29250318 | 0.72 | SNCA (0.44) | ALDH1A1PIM3POLBKDM4EMAPT | |
| SCHEMBL10254398 | 0.71 | ALDH1A1 (0.51) | ALDH1A1PGK1KMT2AMEN1MAPK1 | |
| SCHEMBL9305213 | 0.70 | GAA (0.51) | ALDH1A1LMNAPGK1PIM3GAA | |
| SCHEMBL14018693 | 0.69 | ALDH1A1 (0.71) | ALDH1A1LMNAPGK1GAAGALR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |