Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.45 |
| ▸ | ACACA | Q13085 | 3/20 | 0.45 |
| ▸ | TRPV4 | Q9HBA0 | 9/20 | 0.43 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1422612 | 0.93 | ACACB (0.44) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083730 | 0.90 | ACACB (0.47) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083693 | 0.87 | ACACB (0.50) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083746 | 0.87 | ACACB (0.45) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083747 | 0.85 | ACACB (0.49) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL4409709 | 0.85 | ACACB (0.48) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083714 | 0.82 | TRPV4 (0.44) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083719 | 0.80 | CCR5 (0.51) | TRPV4IRAK4LMNAL3MBTL3L3MBTL1 | |
| SCHEMBL1083697 | 0.78 | L3MBTL3 (0.50) | ACACBACACATRPV4TACR2TACR3 | |
| SCHEMBL1083710 | 0.77 | CCR5 (0.48) | TRPV4IRAK4LMNAL3MBTL3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2297137-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009153182-A1 | NOVEL HETEROARYL CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |