Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.52 |
| ▸ | LGMN | Q99538 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15790595 | 0.82 | ALDH1A1 (0.55) | CTSBLGMNKMT2AMEN1MAPT | |
| SCHEMBL15775592 | 0.82 | KDM4E (0.48) | KMT2AHPGDMETAP2CYP2C19KDM4E | |
| SCHEMBL18980064 | 0.82 | CTSB (0.62) | CTSBLGMNKMT2AMEN1MAPT | |
| SCHEMBL6186988 | 0.75 | MAPT (0.57) | CTSBLGMNKMT2AMEN1MAPT | |
| SCHEMBL5812793 | 0.74 | GAA (0.57) | CTSBLGMNKMT2AMEN1MAPT | |
| SCHEMBL2383228 | 0.72 | MAPT (0.60) | LGMNKMT2AMEN1MAPTRAB9A | |
| SCHEMBL22441527 | 0.72 | MAPK1 (0.69) | CTSBLGMNKMT2AMEN1RAB9A | |
| SCHEMBL3846599 | 0.72 | ALDH1A1 (0.56) | CTSBLGMNKMT2AMEN1MAPT | |
| SCHEMBL15790569 | 0.72 | CYP2C19 (0.59) | KMT2AMEN1MAPTPOLBALDH1A1 | |
| SCHEMBL7016361 | 0.72 | LGMN (0.61) | LGMNKMT2AMEN1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086453-A1 | AZAHETEROBICYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2014-06-12 | — | — | WO | disclosed |