Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL8020571 | 0.95 | ALDH1A1 (0.51) | ALDH1A1NPC1SMN1; SMN2PTPN1MAOB | |
| SCHEMBL8010485 | 0.94 | ALDH1A1 (0.50) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 | |
| SCHEMBL8026970 | 0.92 | GPR132 (0.43) | ALDH1A1PTPN1MLYCDACACB | |
| SCHEMBL8010570 | 0.91 | ALDH1A1 (0.48) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 | |
| SCHEMBL8026762 | 0.90 | ALDH1A1 (0.47) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 | |
| SCHEMBL8020417 | 0.90 | ALDH1A1 (0.46) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 | |
| SCHEMBL8010531 | 0.89 | MAOB (0.43) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 | |
| SCHEMBL8026201 | 0.89 | ALDH1A1 (0.46) | ALDH1A1NPC1SMN1; SMN2PTPN1MAOB | |
| SCHEMBL8010401 | 0.88 | ALDH1A1 (0.45) | ALDH1A1NPC1HTTSMN1; SMN2PTPN1 | |
| SCHEMBL8024218 | 0.87 | ALDH1A1 (0.44) | ALDH1A1PTPN1MAOBMLYCDCYP1A2 |
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 |