Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.31 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5321199 | 0.89 | CYP3A4 (0.35) | NPSR1CYP3A4RHOAALDH1A1TSHR | |
| SCHEMBL5321196 | 0.89 | CYP3A4 (0.35) | NPSR1CYP3A4RHOAALDH1A1TSHR | |
| SCHEMBL14224313 | 0.87 | NPSR1 (0.37) | NPSR1PKMSMN1; SMN2CYP3A4RHOA | |
| SCHEMBL4865746 | 0.87 | NPSR1 (0.37) | NPSR1PKMSMN1; SMN2CYP3A4RHOA | |
| SCHEMBL14196724 | 0.86 | NPSR1 (0.41) | NPSR1PKMSMN1; SMN2CYP3A4RHOA | |
| SCHEMBL5320723 | 0.83 | MAPK8 (0.40) | MAPK8MAPK9MAPK10ALDH1A1MEN1 | |
| SCHEMBL5320718 | 0.83 | MAPK8 (0.40) | MAPK8MAPK9MAPK10ALDH1A1MEN1 | |
| SCHEMBL14196720 | 0.76 | MAPK1 (0.38) | NPSR1CYP3A4RHOACYP19A1ALDH1A1 | |
| SCHEMBL4860414 | 0.76 | MAPK1 (0.38) | NPSR1CYP3A4RHOACYP19A1ALDH1A1 | |
| SCHEMBL5322672 | 0.69 | CASP1 (0.37) | NPSR1PKMSMN1; SMN2CYP3A4CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1537117-B1 | BENZOTRIAZABICYCLIC DERIVATIVES AND USE THEREOF AS BETA-LACTAMASE INHIBITORS AND ANTI-BACTERIAL AGENTS | AVENTIS PHARMA SA (FR) | 2007-01-17 | — | — | EP | disclosed |