Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8655376 | 0.84 | RAB9A (0.60) | RAB9ANPC1PNMTHTR2BHTR7 | |
| SCHEMBL147377 | 0.78 | RAB9A (0.73) | RAB9ANPC1PNMTPTPRCPTPN13 | |
| SCHEMBL8523597 | 0.77 | NPC1 (0.58) | RAB9ANPC1PNMTHTR2BHTR7 | |
| SCHEMBL21437933 | 0.77 | PNMT (0.54) | RAB9ANPC1PNMTPTPRCPTPN13 | |
| SCHEMBL6308798 | 0.76 | RAB9A (0.51) | RAB9ANPC1PTPRCPTPN13HTR2B | |
| SCHEMBL21811871 | 0.76 | PNMT (0.53) | RAB9ANPC1PNMTPTPRCPTPN13 | |
| SCHEMBL144325 | 0.75 | NPC1 (1.00) | RAB9ANPC1HTR2BHTR7ALDH1A1 | |
| SCHEMBL20887168 | 0.74 | RAB9A (0.71) | RAB9ANPC1PNMTALDH1A1MAPK1 | |
| SCHEMBL7189575 | 0.74 | RAB9A (0.67) | RAB9ANPC1PNMTHTR2BHTR7 | |
| SCHEMBL29171790 | 0.74 | NPC1 (0.54) | RAB9ANPC1PNMTHTR2BHTR7 |
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 3 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 | 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-1998017639-A1 | BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1998-04-30 | — | — | WO | disclosed |