Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8010485 | 0.95 | ALDH1A1 (0.50) | ALDH1A1PTPN1MAOBALOX5 | |
| SCHEMBL8020571 | 0.94 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2PTPN1NPC1RAB9A | |
| SCHEMBL8010570 | 0.92 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2APTPN1MAOB | |
| SCHEMBL8026786 | 0.92 | LNPEP (0.41) | ALDH1A1LNPEPMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8026900 | 0.92 | MRGPRX4 (0.46) | ALDH1A1LNPEPSMN1; SMN2NPC1RAB9A | |
| SCHEMBL8026762 | 0.91 | ALDH1A1 (0.47) | ALDH1A1PTPN1MAOBALOX5 | |
| SCHEMBL8171062 | 0.91 | MLYCD (0.41) | ALDH1A1 | |
| SCHEMBL8020417 | 0.91 | ALDH1A1 (0.46) | ALDH1A1PTPN1MAOBALOX5MMP2 | |
| SCHEMBL8024218 | 0.90 | ALDH1A1 (0.44) | ALDH1A1LNPEPPTPN1MAOBMMP2 | |
| SCHEMBL8010401 | 0.89 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2PTPN1 |
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 |