Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.51 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8026490 | 0.89 | AKR1C3 (0.44) | MTNR1AMTNR1BLTA4HSMN1; SMN2GAA | |
| SCHEMBL8026213 | 0.88 | GAA (0.43) | SAE1UBA2MTNR1AMTNR1BLTA4H | |
| SCHEMBL9780049 | 0.81 | MTNR1A (0.61) | MTNR1AMTNR1BNLRP3SMN1; SMN2MAPT | |
| SCHEMBL8020284 | 0.81 | GRK2 (0.57) | MTNR1AMTNR1BCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL5109957 | 0.80 | MTNR1A (0.60) | MTNR1AMTNR1BNLRP3SMN1; SMN2MAPT | |
| SCHEMBL9795665 | 0.79 | MTNR1A (0.41) | MTNR1AMTNR1BCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL28230977 | 0.78 | LTA4H (0.59) | SAE1UBA2MTNR1AMTNR1BLTA4H | |
| SCHEMBL9779998 | 0.77 | MAPT (0.59) | SAE1UBA2CA12CA1CA2 | |
| SCHEMBL9779958 | 0.77 | SIRT2 (0.45) | NLRP3GAA | |
| Hydrochloric Acid SCHEMBL5122021 | 0.76 | MAPT (0.57) | SAE1UBA2CA12CA1CA2 |
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 1 patent. 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 |