Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4865746 | 1.00 | NPSR1 (0.37) | NPSR1MAPK1CYP19A1RHOAMAPK8 | |
| SCHEMBL14196720 | 0.90 | MAPK1 (0.38) | NPSR1MAPK1CYP19A1RHOAHPGD | |
| SCHEMBL4860414 | 0.90 | MAPK1 (0.38) | NPSR1MAPK1CYP19A1RHOAHPGD | |
| SCHEMBL5320440 | 0.87 | NPSR1 (0.40) | NPSR1CYP19A1RHOAMAPK8MAPK9 | |
| SCHEMBL14196724 | 0.84 | NPSR1 (0.41) | NPSR1CYP19A1RHOAMAPK8MAPK9 | |
| SCHEMBL4863074 | 0.84 | MAPK1 (0.39) | MAPK1MAPK8MAPK9MAPK10HPGD | |
| SCHEMBL14196714 | 0.84 | MAPK1 (0.39) | MAPK1MAPK8MAPK9MAPK10HPGD | |
| SCHEMBL14425277 | 0.84 | MAPK1 (0.40) | MAPK1ALDH1A1PKM | |
| SCHEMBL4856100 | 0.79 | MAPK1 (0.38) | MAPK1SMN1; SMN2 | |
| SCHEMBL5321196 | 0.76 | CYP3A4 (0.35) | NPSR1RHOAALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7365071-B2 | Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials | AVENTIS PHARMA S.A. (FR) | 2008-04-29 | — | — | US | disclosed |