Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13997468 | 0.84 | NPC1 (0.43) | KLKB1KLK1ROCK2GRK2HPGD | |
| SCHEMBL13997424 | 0.82 | HDAC1 (0.31) | — | |
| SCHEMBL13253236 | 0.81 | CALCRL (0.36) | KLKB1KLK1ROCK2PRKCAGRK2 | |
| SCHEMBL13997426 | 0.79 | BACE1 (0.34) | — | |
| SCHEMBL16602183 | 0.79 | CALCRL (0.44) | — | |
| SCHEMBL13997473 | 0.78 | ADORA2A (0.35) | HPGDALDH1A1ADORA2AADORA1MAPK1 | |
| SCHEMBL13997472 | 0.77 | P2RX7 (0.43) | SMN1; SMN2KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL13997471 | 0.76 | KCNT1 (0.36) | — | |
| SCHEMBL13997430 | 0.76 | MAPK1 (0.36) | MAPK1 | |
| SCHEMBL13997477 | 0.76 | SMN1; SMN2 (0.35) | HPGDSMN1; SMN2RAB9AKMT2ANPC1 |
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-2008153849-A1 | CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-12-18 | — | — | WO | disclosed |