Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13740539 | 0.92 | PTPN11 (0.39) | PTPN11ADORA3MAPTCYP3A4CYP2C9 | |
| SCHEMBL13738565 | 0.92 | PTPN11 (0.39) | PTPN11ADORA3MAPTCYP3A4CYP2C9 | |
| SCHEMBL13741117 | 0.81 | PTPN11 (0.42) | PTPN11MAPTALDH1A1KDM4EGAA | |
| SCHEMBL31303685 | 0.80 | TSHR (0.42) | PTPN11ADORA3MAPTCYP3A4CYP2C9 | |
| SCHEMBL13832184 | 0.79 | RARB (0.37) | PTPN11MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16925442 | 0.79 | RARB (0.37) | PTPN11MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17453176 | 0.78 | PTPN11 (0.38) | PTPN11MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16921534 | 0.76 | PTPN11 (0.42) | PTPN11MAPTCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13757141 | 0.72 | PTPN11 (0.51) | PTPN11MAPTALDH1A1TSHRCA1 | |
| SCHEMBL3014114 | 0.72 | TSHR (0.46) | PTPN11ADORA3MAPTCYP2C9CYP2C19 |
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-2012154204-A1 | HYDROXAMIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | ACHAOGEN, INC. (US) | 2012-11-15 | — | — | WO | disclosed |