Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.50 |
| ▸ | ACLY | P53396 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GRK6 | P43250 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6598437 | 0.87 | ESR1 (0.50) | ESR1ESR2ACLYAPPMAPT | |
| SCHEMBL23188417 | 0.83 | GAA (0.59) | ESR1ESR2PIK3CAPIK3CBGAA | |
| SCHEMBL23176649 | 0.81 | KDM4E (0.53) | ACLYPIK3CBGAAGRK6MAPT | |
| SCHEMBL5734523 | 0.80 | ACLY (0.44) | ACLYGAAGRK6MEN1KMT2A | |
| SCHEMBL22439286 | 0.79 | ESR1 (0.53) | ESR1ESR2PIK3CAPIK3CBGAA | |
| SCHEMBL21815183 | 0.78 | KMT2A (0.68) | ESR1ESR2MEN1KMT2ANPC1 | |
| SCHEMBL21130280 | 0.78 | AKR1B1 (0.44) | ACLYGAAGRK6MEN1KMT2A | |
| SCHEMBL7997955 | 0.78 | ACLY (0.42) | ACLYGRK6APPMEN1KMT2A | |
| SCHEMBL7993840 | 0.78 | GRK6 (0.50) | ACLYGAAGRK6MEN1KMT2A | |
| SCHEMBL7972175 | 0.76 | GAA (0.59) | ACLYGAAGRK6MEN1KMT2A |
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-2001055139-A1 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES | SYNGENTA LIMITED (GB) | 2001-08-02 | — | — | WO | disclosed |