Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | RNF4 | P78317 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.39 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL8020308 | 0.96 | MLYCD (0.41) | MLYCDCETPOPRM1MTNR1AMTNR1B | |
| SCHEMBL8022500 | 0.90 | ALDH1A1 (0.40) | MLYCDALDH1A1NPC1RAB9AMTNR1A | |
| SCHEMBL8020677 | 0.88 | ALDH1A1 (0.43) | MLYCDALDH1A1MTNR1AMTNR1B | |
| SCHEMBL8020337 | 0.86 | MLYCD (0.41) | MLYCD | |
| SCHEMBL8022286 | 0.86 | MLYCD (0.41) | MLYCDALDH1A1OPRM1 | |
| SCHEMBL8010570 | 0.84 | ALDH1A1 (0.48) | MLYCDALDH1A1 | |
| SCHEMBL8026727 | 0.83 | MRGPRX4 (0.45) | ALDH1A1KDM4ESMN1; SMN2RAB9ACETP | |
| SCHEMBL8026786 | 0.83 | LNPEP (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8020571 | 0.82 | ALDH1A1 (0.51) | MLYCDALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8023152 | 0.82 | MLYCD (0.38) | MLYCDALDH1A1 |
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 |