Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.49 |
| ▸ | MAP2K4 | P45985 | 3/20 | 0.49 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.42 |
| ▸ | RBP4 | P02753 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.41 |
| ▸ | WNT3A | P56704 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.39 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.39 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.39 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7379535 | 0.81 | MAP2K4 (0.61) | GSK3BMAP2K4MEN1KMT2APRKAB2 | |
| SCHEMBL30443279 | 0.81 | MAP2K4 (0.61) | GSK3BMAP2K4MEN1KMT2APRKAB2 | |
| SCHEMBL15540985 | 0.80 | MAP2K4 (0.52) | GSK3BMAP2K4PAK1RBP4MEN1 | |
| SCHEMBL17423733 | 0.80 | MAP2K4 (0.52) | GSK3BMAP2K4PAK1RBP4MEN1 | |
| SCHEMBL31295133 | 0.78 | CTNNB1 (0.65) | CTNNB1WNT3ARAB9AIDO1 | |
| SCHEMBL220455 | 0.78 | CTNNB1 (0.65) | CTNNB1WNT3ARAB9AIDO1 | |
| SCHEMBL19997303 | 0.76 | PAK1 (0.64) | GSK3BPAK1RBP4CTNNB1WNT3A | |
| SCHEMBL30609861 | 0.76 | MAP2K4 (0.65) | GSK3BMAP2K4PAK1MEN1KMT2A | |
| SCHEMBL4791992 | 0.76 | MAP2K4 (0.65) | GSK3BMAP2K4PAK1MEN1KMT2A | |
| SCHEMBL10262737 | 0.75 | KDM4E (0.66) | GSK3BMAP2K4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016007837-A1 | CARBONYL LINKED BICYCLIC HETEROARYL ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-01-14 | — | — | WO | disclosed |
| WO-2016007837-A1 | CARBONYL LINKED BICYCLIC HETEROARYL ANTIBIOTIC TOLERANCE INHIBITORS | SPERO THERAPEUTICS, INC. (US) | 2016-01-14 | — | — | WO | disclosed |