Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 9/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5326263 | 0.90 | CASP1 (0.33) | CASP1CA1CA2CYP3A4CHRM1 | |
| SCHEMBL4862831 | 0.86 | TDP1 (0.34) | CASP1NPSR1PKMCA1CA2 | |
| SCHEMBL5318595 | 0.79 | NPC1 (0.37) | SMN1; SMN2GAAMAPTMAPK1 | |
| SCHEMBL14196718 | 0.69 | NPSR1 (0.40) | CASP1NPSR1PKMSMN1; SMN2CA1 | |
| SCHEMBL5320440 | 0.69 | NPSR1 (0.40) | CASP1NPSR1PKMSMN1; SMN2CA1 | |
| SCHEMBL5253676 | 0.68 | ACE (0.36) | SMN1; SMN2CA1CA2FAAHCYP3A4 | |
| SCHEMBL5188020 | 0.65 | CYP19A1 (0.36) | CHRM1MEN1KMT2A | |
| SCHEMBL114035 | 0.64 | CASP1 (0.56) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL1866841 | 0.64 | CASP1 (0.56) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL5272076 | 0.62 | CA1 (0.31) | CA1CA2 |
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 |