Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 8/20 | 0.52 |
| ▸ | NOS3 | P29474 | 7/20 | 0.52 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | F12 | P00748 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL29954053 | 0.80 | NOS3 (0.40) | NOS2NOS3NOS1KDM4EMEN1 | |
| SCHEMBL1181840 | 0.80 | NOS2 (0.56) | NOS2NOS3NOS1F12PLG | |
| SCHEMBL20651907 | 0.79 | NOS2 (0.48) | NOS2NOS3NOS1F12PLAU | |
| SCHEMBL21710320 | 0.78 | NOS3 (0.34) | NOS2NOS3NOS1NAPRTKDM4E | |
| SCHEMBL29954252 | 0.78 | NOS2 (0.39) | NOS2NOS3NOS1F12PLG | |
| SCHEMBL21062813 | 0.78 | NOS2 (0.39) | NOS2NOS3NOS1F12PLG | |
| SCHEMBL29953415 | 0.74 | NOS2 (0.36) | NOS2NOS3NOS1F12PLG | |
| SCHEMBL29951895 | 0.74 | HTT (0.41) | NOS2NOS3 | |
| SCHEMBL117563 | 0.73 | NOS3 (0.52) | NOS2NOS3NOS1F12PLG | |
| SCHEMBL29952309 | 0.73 | NOS3 (0.52) | NOS2NOS3NOS1F12PLG |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313828-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-07-12 | — | — | EP | disclosed |
| EP-3313828-B1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-07-12 | — | — | EP | disclosed |
| US-10227331-B2 | Metallo-β-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-03-12 | — | — | US | disclosed |
| US-10227331-B2 | Metallo-β-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-03-12 | — | — | US | disclosed |
| US-20180179190-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Marck Sharp & Dohme Corp. (US) | 2018-06-28 | — | — | US | disclosed |
| US-20180179190-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Marck Sharp & Dohme Corp. (US) | 2018-06-28 | — | — | US | disclosed |
| US-20180179190-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Marck Sharp & Dohme Corp. (US) | 2018-06-28 | — | — | US | disclosed |
| EP-3313828-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-05-02 | — | — | EP | disclosed |
| WO-2016206101-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | disclosed |
| WO-2016210234-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | 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 (2 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-10227331-B2 | Metallo-β-lactamase inhibitors | ALPI, GAA, ZFX | NOS2 2275/4885NOS3 3419/4885NOS1 1814/4885 |
| US-20180179190-A1 | METALLO-BETA-LACTAMASE INHIBITORS | ALPI, GAA, ZFX | NOS2 2272/4885NOS3 3410/4885NOS1 1807/4885 |
“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.