Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 5/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | TYR | P14679 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13612673 | 0.85 | MAOA (0.61) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL27625488 | 0.85 | MMP2 (0.67) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL1619109 | 0.83 | MAOB (0.67) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL30594160 | 0.83 | MAOB (0.67) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL25306495 | 0.81 | MAOA (0.58) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL765821 | 0.81 | MAOA (0.58) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL294595 | 0.81 | MAOA (0.58) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL29934196 | 0.81 | POLB (0.59) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL3009674 | 0.81 | HPGD (0.59) | MAOAMAOBMMP2MMP9ADAM17 | |
| SCHEMBL94133 | 0.81 | POLB (0.59) | MAOAMAOBMMP2MMP9ADAM17 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2337784-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2010036871-A1 | MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2006023209-A2 | USES OF NOTCH RECEPTORS, NOTCH LIGANDS, AND NOTCH MODULATORS IN METHODS RELATED TO METABOLIC DISEASES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) | 2006-03-02 | — | — | WO | disclosed |