Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8026213 | 0.90 | GAA (0.43) | MTNR1AMTNR1BRAB9ASMN1; SMN2KDM4E | |
| SCHEMBL8021371 | 0.89 | SAE1 (0.51) | MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9795665 | 0.83 | MTNR1A (0.41) | AKR1C3MTNR1AMTNR1BUSP2SIRT2 | |
| SCHEMBL9779958 | 0.82 | SIRT2 (0.45) | GAASIRT2FFAR1 | |
| SCHEMBL658053 | 0.82 | LMNA (0.54) | RAB9ASMN1; SMN2KDM4ENPC1ALDH1A1 | |
| SCHEMBL8009616 | 0.80 | FFAR1 (0.58) | LTA4HSIRT2FFAR1 | |
| Benzene SCHEMBL28330086 | 0.80 | LMNA (0.53) | AKR1C3RAB9ASMN1; SMN2KDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL76327 | 0.80 | LMNA (0.53) | AKR1C3RAB9ASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL8021547 | 0.79 | ALDH1A1 (0.55) | RAB9ASMN1; SMN2NPC1ALDH1A1HPGD | |
| SCHEMBL2092346 | 0.78 | SMN1; SMN2 (0.54) | RAB9ASMN1; SMN2NPC1ALDH1A1GAA |
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 |