Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.32 |
| ▸ | TAOK3 | Q9H2K8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5140398 | 0.96 | GAA (0.37) | SMN1; SMN2LMNAPOLBALDH1A1ATM | |
| SCHEMBL14463170 | 0.73 | ALDH1A1 (0.47) | SMN1; SMN2LMNAPOLBALDH1A1ATM | |
| SCHEMBL8663550 | 0.73 | GRIN2B (0.36) | SMN1; SMN2 | |
| SCHEMBL5202981 | 0.72 | ALDH1A1 (0.45) | SMN1; SMN2LMNAALDH1A1ATMHCAR2 | |
| SCHEMBL27500622 | 0.71 | OPRD1 (0.45) | SMN1; SMN2ALDH1A1KMT2AMEN1GAA | |
| SCHEMBL4719492 | 0.71 | ALDH1A1 (0.48) | SMN1; SMN2LMNAPOLBALDH1A1ATM | |
| SCHEMBL9358435 | 0.70 | — | — | |
| SCHEMBL3310180 | 0.70 | — | — | |
| SCHEMBL28111563 | 0.70 | SMN1; SMN2 (0.38) | SMN1; SMN2LMNAPOLBALDH1A1ATM | |
| SCHEMBL6209743 | 0.70 | SMN1; SMN2 (0.43) | SMN1; SMN2LMNAPOLBALDH1A1ATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3313832-A1 | 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-05-02 | — | — | EP | disclosed |
| WO-2016210215-A1 | 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | disclosed |