Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | TYMS | P04818 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305862 | 0.86 | GAA (0.42) | ALDH1A1ALOX15TYMSKIF11GAA | |
| SCHEMBL6467818 | 0.82 | CBFB (0.52) | ALDH1A1ALOX15RAD52UBE2NTDP1 | |
| SCHEMBL868184 | 0.80 | DDAH1 (0.59) | ALDH1A1ALOX15NPBWR1GAAHTT | |
| SCHEMBL2757174 | 0.80 | ALDH1A1 (0.58) | ALDH1A1ALOX15NPBWR1TYMSKIF11 | |
| SCHEMBL8596529 | 0.79 | KDM4E (0.55) | ALDH1A1ALOX15NPBWR1GAAHTT | |
| SCHEMBL8510138 | 0.79 | DAO (0.49) | ALDH1A1ALOX15NPBWR1TYMSKIF11 | |
| SCHEMBL9305459 | 0.79 | ALDH1A1 (0.44) | ALDH1A1ALOX15NPBWR1TYMSKIF11 | |
| SCHEMBL240221 | 0.79 | TYMS (0.60) | ALDH1A1ALOX15NPBWR1TYMSGAA | |
| SCHEMBL12231816 | 0.76 | ALDH1A1 (0.54) | ALDH1A1ALOX15NPBWR1TYMSKIF11 | |
| SCHEMBL10141265 | 0.76 | ALDH1A1 (0.60) | ALDH1A1ALOX15NPBWR1HTTHPGD |
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 |