Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MPI | P34949 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8972664 | 0.84 | SMN1; SMN2 (0.47) | ALDH1A1GAAHTTKMT2AMEN1 | |
| SCHEMBL9304882 | 0.84 | RAB9A (0.42) | ALDH1A1GAAELANEHTTKMT2A | |
| SCHEMBL8972438 | 0.82 | LMNA (0.51) | ALDH1A1GAAKMT2AMEN1TP53 | |
| SCHEMBL8973146 | 0.82 | NPC1 (0.50) | ELANEHTTKMT2AMEN1MAPT | |
| SCHEMBL10892267 | 0.81 | KMT2A (0.42) | ALDH1A1L3MBTL1KMT2AMEN1KDM4E | |
| SCHEMBL10892216 | 0.80 | HPGD (0.44) | ALDH1A1ELANEKMT2AMAPTNPC1 | |
| SCHEMBL9305346 | 0.80 | HPGD (0.41) | ELANEHTTKMT2AMEN1MAPT | |
| SCHEMBL10893433 | 0.80 | SIRT5 (0.41) | KMT2AMEN1MAPTNPC1RAB9A | |
| SCHEMBL9305788 | 0.79 | HSD17B10 (0.39) | ALDH1A1GAAELANEKMT2ATP53 | |
| SCHEMBL9306890 | 0.79 | CETP (0.42) | — |
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 |
| US-4612049-A | BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID | CIBA-GEIGY CORPORATION (US) | 1986-09-16 | — | — | US | disclosed |