Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | LTA4H | P09960 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 7/20 | 0.48 |
| ▸ | MAOB | P27338 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.45 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27514736 | 0.90 | NPC1 (0.57) | NPC1RAB9ATDP1LTA4HMAOA | |
| SCHEMBL19497465 | 0.89 | NPC1 (0.64) | NPC1RAB9ATDP1LTA4HALDH1A1 | |
| SCHEMBL12951679 | 0.86 | RAB9A (0.69) | NPC1RAB9ATDP1LTA4HALDH1A1 | |
| SCHEMBL10970519 | 0.84 | LTA4H (0.76) | NPC1RAB9ATDP1LTA4HALDH1A1 | |
| SCHEMBL6852425 | 0.84 | ALDH1A1 (0.52) | NPC1RAB9ATDP1ALDH1A1CYP2A6 | |
| SCHEMBL8992998 | 0.83 | NPC1 (0.54) | NPC1RAB9ATDP1LTA4HALDH1A1 | |
| SCHEMBL6856786 | 0.82 | MAOA (0.47) | NPC1RAB9ATDP1ALDH1A1CYP2A6 | |
| SCHEMBL9607336 | 0.82 | ALDH1A1 (0.79) | NPC1RAB9ATDP1LTA4HALDH1A1 | |
| SCHEMBL20546828 | 0.81 | MAOA (0.59) | NPC1RAB9ATDP1ALDH1A1CYP2A6 | |
| SCHEMBL14191204 | 0.80 | LTA4H (0.70) | LTA4HALDH1A1MAOBMAPTTP53 |
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 |