Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | ABAT | P80404 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2585956 | 0.85 | CALM1 (0.43) | CALM1KDM4E | |
| SCHEMBL711973 | 0.83 | CALM1 (0.57) | IDH1CALM1CA2KDM4EALDH1A1 | |
| SCHEMBL9686662 | 0.80 | SRD5A2 (0.38) | KEAP1CALM1CYP2C19ALDH1A1TAAR1 | |
| SCHEMBL27739505 | 0.80 | CALM1 (0.37) | ESR1ESR2IDH1CALM1CA2 | |
| SCHEMBL27754324 | 0.80 | ALDH1A1 (0.44) | ESR1ESR2IDH1CALM1CA2 | |
| SCHEMBL8900207 | 0.80 | SIGMAR1 (0.37) | CALM1SIGMAR1ALDH1A1TAAR1L3MBTL1 | |
| SCHEMBL27430888 | 0.80 | TP53 (0.44) | CALM1CA2ALDH1A1TAAR1L3MBTL1 | |
| SCHEMBL2874671 | 0.80 | LMNA (0.37) | CALM1ALDH1A1TAAR1L3MBTL1IDO1 | |
| SCHEMBL3995497 | 0.77 | LMNA (0.66) | ALDH1A1L3MBTL1LMNA | |
| SCHEMBL232800 | 0.76 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156774-A | Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-12-05 | — | — | US | claimed |
| EP-1000024-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-17 | — | — | EP | claimed |
| EP-0970062-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-12 | — | — | EP | claimed |
| EP-0934262-A1 | BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-08-11 | — | — | EP | claimed |
| WO-1999006365-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-11 | — | — | WO | claimed |
| WO-1998040056-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-17 | — | — | WO | claimed |
| WO-1998017639-A1 | BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1998-04-30 | — | — | WO | claimed |
| US-6211212-B1 | DRUGS WITH AMIDE AND ESTER GROUPS AS ENZYME INHIBITORS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-03 | — | — | US | disclosed |
| US-6156774-A | Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-12-05 | — | — | US | disclosed |
| EP-1000024-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-17 | — | — | EP | disclosed |
| EP-0970062-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-12 | — | — | EP | disclosed |
| EP-0934262-A1 | BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-08-11 | — | — | EP | disclosed |
| WO-1999006365-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-11 | — | — | WO | disclosed |
| WO-1998040056-A2 | PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-17 | — | — | WO | disclosed |
| WO-1998017639-A1 | BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1998-04-30 | — | — | WO | disclosed |