Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | CTSA | P10619 | 11/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9305331 | 0.90 | TOP2A (0.36) | TOP2ACTSAPIK3CDPIK3CAPIK3CB | |
| SCHEMBL9306240 | 0.82 | DAGLA (0.42) | CTSAPIK3CDPIK3CBMMP12MMP13 | |
| SCHEMBL9305328 | 0.81 | TOP2A (0.40) | TOP2APIK3CDPIK3CAPIK3CBLIPG | |
| SCHEMBL8973089 | 0.81 | IKBKE (0.35) | CTSA | |
| SCHEMBL8972338 | 0.80 | HDAC3 (0.46) | — | |
| SCHEMBL9304112 | 0.80 | CTSA (0.33) | CTSA | |
| SCHEMBL9733965 | 0.80 | CTSA (0.33) | CTSA | |
| Ammonia Solution, Strong SCHEMBL10865678 | 0.79 | HDAC3 (0.45) | — | |
| SCHEMBL9306352 | 0.78 | HSD17B10 (0.37) | — | |
| Methylamine SCHEMBL10867855 | 0.77 | HDAC4 (0.43) | — |
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 |