Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12059 | 0.88 | KCNH3 (0.33) | POLBKCNH3RAB9AHTTALDH1A1 | |
| SCHEMBL15827863 | 0.72 | RAB9A (0.36) | POLBRAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL11984 | 0.72 | ALDH1A1 (0.35) | POLBKCNH3RAB9AHSD17B10HTT | |
| SCHEMBL10309 | 0.71 | POLB (0.43) | POLBKCNH3RAB9AHSD17B10HTT | |
| SCHEMBL11895780 | 0.70 | TRPA1 (0.36) | POLBKCNH3RAB9AHSD17B10LMNA | |
| SCHEMBL11966335 | 0.70 | TRPA1 (0.36) | POLBKCNH3RAB9AHSD17B10LMNA | |
| SCHEMBL11954685 | 0.70 | TRPA1 (0.36) | POLBKCNH3RAB9AHSD17B10LMNA | |
| SCHEMBL11954741 | 0.70 | TRPA1 (0.36) | POLBKCNH3RAB9AHSD17B10LMNA | |
| SCHEMBL15827861 | 0.69 | TRPA1 (0.47) | POLBKCNH3RAB9AHSD17B10HTT | |
| SCHEMBL2906 | 0.69 | TRPA1 (0.47) | POLBKCNH3RAB9AHSD17B10HTT |
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-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |