Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8020337 | 0.95 | MLYCD (0.41) | MMP1MMP13MLYCD | |
| SCHEMBL8023152 | 0.92 | MLYCD (0.38) | ALDH1A1MMP1MMP13MLYCD | |
| SCHEMBL8026202 | 0.90 | MLYCD (0.39) | ALDH1A1NPC1RAB9AMLYCDMTNR1A | |
| SCHEMBL8010570 | 0.86 | ALDH1A1 (0.48) | ALDH1A1MLYCDPTPN1 | |
| SCHEMBL8020308 | 0.86 | MLYCD (0.41) | MLYCDMTNR1AMTNR1B | |
| SCHEMBL8022286 | 0.86 | MLYCD (0.41) | ALDH1A1MLYCD | |
| SCHEMBL8020677 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MLYCDMTNR1AMTNR1B | |
| SCHEMBL8010485 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MLYCDPTPN1 | |
| SCHEMBL8020571 | 0.82 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AMLYCDPTPN1 | |
| SCHEMBL8024569 | 0.81 | MLYCD (0.45) | ALDH1A1MLYCD |
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 |