Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL24820021 | 0.83 | HDAC3 (0.44) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL13305137 | 0.81 | RAB9A (0.41) | CA2GABRA1GABRB2CASRALDH1A1 | |
| SCHEMBL9305633 | 0.79 | CA2 (0.38) | CA2GABRA1GABRB2CASRALDH1A1 | |
| SCHEMBL19226220 | 0.79 | CA2 (0.38) | CA2GABRA1GABRB2CASRALDH1A1 | |
| SCHEMBL23421550 | 0.79 | ASH1L (0.42) | CA2ALDH1A1MAPTTSHRTDP1 | |
| SCHEMBL11831944 | 0.78 | KMT2A (0.42) | CA2CASRALDH1A1TSHRTDP1 | |
| SCHEMBL18791158 | 0.72 | PSMB8 (0.58) | ALDH1A1MAPTTDP1HDAC3HDAC4 | |
| SCHEMBL31389941 | 0.72 | PSMB8 (0.37) | ALDH1A1MAPTTDP1PSMB8 | |
| SCHEMBL19008541 | 0.72 | CA2 (0.38) | CA2GABRA1GABRB2CASRALDH1A1 | |
| SCHEMBL12829698 | 0.72 | HDAC3 (0.41) | CASRALDH1A1HDAC3HDAC4HDAC1 |
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-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-B1 | HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS | CIBA-GEIGY AG (CH) | 1991-03-06 | — | — | EP | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |