Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 10/20 | 0.56 |
| ▸ | MAOA | P21397 | 9/20 | 0.55 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL2961108 | 0.79 | MAOB (0.56) | MAOBMAOAGSK3BALDH1A1CYP19A1 | |
| SCHEMBL7046662 | 0.78 | MAOB (0.54) | MAOBMAOAGSK3BALDH1A1CYP19A1 | |
| SCHEMBL507156 | 0.77 | MAOB (0.55) | MAOBMAOACYP2A6LOXL2ALDH1A1 | |
| SCHEMBL13791015 | 0.77 | MAOB (0.55) | MAOBMAOACYP2A6LOXL2ALDH1A1 | |
| SCHEMBL28538405 | 0.77 | MAOB (0.56) | MAOBMAOACYP2A6LOXL2ALDH1A1 | |
| SCHEMBL8779814 | 0.77 | MAOB (0.56) | MAOBMAOACYP2A6LOXL2ALDH1A1 | |
| SCHEMBL16841034 | 0.76 | MAOB (0.53) | MAOBMAOACYP2A6LOXL2CA12 | |
| SCHEMBL1017349 | 0.74 | MAOB (0.59) | MAOBMAOACYP2A6LOXL2ALDH1A1 | |
| SCHEMBL10821188 | 0.74 | MAOB (0.52) | MAOBMAOAGSK3BCYP2A6LOXL2 | |
| SCHEMBL1018040 | 0.74 | MAOB (0.59) | MAOBMAOACYP2A6CA12CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116833-A | ANTIBIOTIC C-3 DITHIOACETAL-SUBSTITUTED CARBAPENEM COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0481511-A2 | Antibiotic C-3 dithioacetal-substituted carbapenem compounds, compositions, and use thereof | Bristol-Myers Squibb Company (US) | 1992-04-22 | — | — | EP | disclosed |