Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.39 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.39 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11974561 | 0.81 | MAOB (0.58) | HAO1MAOBLMNAGPR52MMP1 | |
| SCHEMBL9764639 | 0.73 | CYP3A4 (0.55) | CYP3A4CYP2C9LMNAPLIN1PLIN5 | |
| SCHEMBL14690678 | 0.72 | KEAP1 (0.48) | CYP3A4CYP2C9LMNAPLIN1PLIN5 | |
| SCHEMBL16865356 | 0.71 | PPID (0.48) | MAOBRAB9AALDH1A1SMN1; SMN2GSK3B | |
| SCHEMBL21065021 | 0.70 | MAOB (0.52) | MAOBLMNAGPR52TOP1ALDH1A1 | |
| SCHEMBL7625514 | 0.69 | MCL1 (0.43) | CYP3A4CYP2C9LMNAPLIN1PLIN5 | |
| SCHEMBL6748586 | 0.69 | MAOB (0.56) | CYP3A4CYP2C9MAOBLMNAGPR52 | |
| SCHEMBL517737 | 0.69 | MAOB (0.56) | CYP3A4CYP2C9MAOBLMNAGPR52 | |
| SCHEMBL2555173 | 0.69 | MAOB (0.61) | MAOBLMNAGPR52TOP1RAB9A | |
| SCHEMBL1233515 | 0.69 | MAOB (0.61) | MAOBLMNAGPR52TOP1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1962864-A1 | ANTIBACTERIAL AGENTS | Alchemia Limited (AU) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070947-A1 | ANTIBACTERIAL AGENTS | ALCHEMIA LTD (AU) | 2007-06-28 | — | — | WO | disclosed |