Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693070 | 0.91 | GSTO1 (0.36) | GSTO1NPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5185241 | 0.84 | NPSR1 (0.39) | NPSR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5185704 | 0.82 | KMT2A (0.43) | CTSSCTSKL3MBTL1MEN1KMT2A | |
| SCHEMBL5185377 | 0.78 | SMN1; SMN2 (0.38) | KDM4ECTSSCTSKALOX5MEN1 | |
| SCHEMBL5255513 | 0.75 | CASR (0.43) | GSTO1CTSSCTSKL3MBTL1ALDH1A1 | |
| SCHEMBL4693729 | 0.75 | LMNA (0.39) | NPSR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27274197 | 0.75 | CTSK (0.37) | KDM4ECTSSCTSKTP53ALOX5 | |
| SCHEMBL4152673 | 0.73 | TACR3 (0.40) | NPSR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2863369 | 0.69 | CES2 (0.41) | CYP2D6KDM4ECTSSCTSKALOX5 | |
| SCHEMBL2859019 | 0.69 | CES2 (0.41) | CYP2D6KDM4ECTSSCTSKALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018329-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2009-01-15 | — | — | US | disclosed |
| US-7439253-B2 | Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | NOVEXEL (FR) | 2008-10-21 | — | — | US | disclosed |
| US-7288549-B2 | Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | AVENTIS PHARMA S.A. (FR) | 2007-10-30 | — | — | US | disclosed |
| US-20050245505-A1 | Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | ENTASIS THERAPEUTICS LIMITED (GB) | 2005-11-03 | — | — | US | disclosed |
| US-20040157826-A1 | Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | AVENTIS PHARMA S.A. (FR) | 2004-08-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040157826-A1 | Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | GAA, ALPI, GANAB | GSTO1 867/4885NPSR1 4084/4885CYP1A2 364/4885 |
| US-20050245505-A1 | Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | FDPS, MRPL21, DHPS | GSTO1 3767/4885NPSR1 2649/4885CYP1A2 842/4885 |
| US-20090018329-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS | GAA, GANAB, ALPI | GSTO1 1093/4885NPSR1 4078/4885CYP1A2 409/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.