Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA7 | P43166 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA6 | P23280 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | CA5A | P35218 | 3/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1080972 | 0.74 | CA2 (0.61) | STAT3CA2CA7CA1CA6 | |
| SCHEMBL20899666 | 0.73 | CYP2A6 (0.48) | STAT3CA2CA1CA12CA9 | |
| SCHEMBL28407818 | 0.73 | CA2 (0.47) | PTPRCCA2CA7CA1CA6 | |
| SCHEMBL8347239 | 0.72 | CA2 (0.58) | PTPRCCES1STAT3CA2CA7 | |
| SCHEMBL3248283 | 0.71 | PTGS1 (0.63) | PTPRCPTGS1PTGS2 | |
| SCHEMBL6820364 | 0.69 | CA2 (0.50) | STAT3CA2CA7CA1CA6 | |
| SCHEMBL6512541 | 0.68 | PTPRC (0.46) | PTPRCCES1PABPC1DNMT1STAT3 | |
| SCHEMBL9773297 | 0.67 | RAB9A (0.47) | PTPRCCES1KDM4ENPC1RAB9A | |
| SCHEMBL3478457 | 0.67 | SCN9A (0.49) | STAT3CA2CA7CA1CA6 | |
| SCHEMBL15637602 | 0.67 | PTPRC (0.47) | PTPRCCES1KDM4ENPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019075394-A1 | COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME | VANDERKLISH PETER (US) | 2019-04-18 | — | — | WO | disclosed |