Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.39 |
| ▸ | CALCA | P06881 | 3/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 3/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524901 | 0.90 | ADRA2B (0.40) | MALT1CALCAEGLN1CALCRLALDH1A1 | |
| SCHEMBL17524933 | 0.90 | CALCA (0.40) | MALT1MAP3K11CALCAEGLN1CALCRL | |
| SCHEMBL17524910 | 0.88 | EGLN1 (0.43) | CALCAEGLN1LMNAKDM4E | |
| SCHEMBL17525080 | 0.86 | LRRK2 (0.39) | CALCAEGLN1CALCRL | |
| SCHEMBL17525079 | 0.86 | KCNH2 (0.38) | CALCAEGLN1CALCRLIDH1 | |
| SCHEMBL17524909 | 0.86 | ADRA1A (0.38) | CALCAEGLN1CALCRLIDH1 | |
| SCHEMBL17525077 | 0.86 | HTR7 (0.46) | MALT1CALCAALDH1A1LMNA | |
| SCHEMBL17524994 | 0.85 | CALCRL (0.40) | CALCAEGLN1PDE4BCALCRL | |
| SCHEMBL17524935 | 0.84 | GAA (0.44) | MALT1CALCAEGLN1CALCRL | |
| SCHEMBL17524942 | 0.82 | ADRA2B (0.40) | CALCAEGLN1CALCRLTNK2ALDH1A1 |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |