Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244080 | 0.82 | CA12 (0.44) | CA12CA1CA9MAOAMTNR1A | |
| SCHEMBL20537232 | 0.77 | MTNR1A (0.53) | CA12CA1CA9MTNR1AMAPT | |
| SCHEMBL3825460 | 0.76 | CA12 (0.64) | CA12CA1CA9MAOAMTNR1A | |
| SCHEMBL12055259 | 0.76 | PLAU (0.59) | MTNR1ALMNAKDM4ENPSR1PLAU | |
| SCHEMBL8477878 | 0.74 | CA12 (0.54) | CA12CA1CA9MAOAMAPT | |
| SCHEMBL7650010 | 0.73 | CA12 (0.57) | CA12CA1CA9MAOAMTNR1A | |
| SCHEMBL3823460 | 0.73 | CA12 (0.60) | CA12CA1CA9MAPTLMNA | |
| SCHEMBL3824435 | 0.72 | MTNR1A (0.51) | CA12CA1CA9MTNR1AMAPT | |
| SCHEMBL31299883 | 0.72 | ABL1 (0.40) | MAPTALDH1A1GAAKDM4EPLAU | |
| SCHEMBL29576500 | 0.72 | LTA4H (0.44) | PLAUPLAT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007016441-A1 | MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |