Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 5/20 | 0.45 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.38 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8026786 | 0.94 | LNPEP (0.41) | MRGPRX4ALDH1A1SMN1; SMN2MAOBLNPEP | |
| SCHEMBL8026900 | 0.94 | MRGPRX4 (0.46) | MRGPRX4ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL8020677 | 0.93 | ALDH1A1 (0.43) | ALDH1A1MAOB | |
| SCHEMBL8020308 | 0.86 | MLYCD (0.41) | CETP | |
| SCHEMBL8026201 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ASMN1; SMN2MAOB | |
| SCHEMBL8020571 | 0.84 | ALDH1A1 (0.51) | ALDH1A1RAB9ASMN1; SMN2MAOB | |
| SCHEMBL8022286 | 0.84 | MLYCD (0.41) | ALDH1A1 | |
| SCHEMBL8010485 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAOB | |
| SCHEMBL8019970 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAOBLNPEP | |
| SCHEMBL8171062 | 0.83 | MLYCD (0.41) | ALDH1A1 |
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 |