Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.38 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.36 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.36 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10168 | 0.90 | POLB (0.38) | POLBRAB9AKCNH3TEAD1TEAD4 | |
| SCHEMBL14661 | 0.85 | ALDH1A1 (0.40) | POLBKCNH3TEAD1TEAD4TEAD2 | |
| SCHEMBL14673 | 0.72 | TEAD1 (0.41) | POLBRAB9ATEAD1TEAD4TEAD2 | |
| SCHEMBL14835 | 0.72 | TEAD1 (0.41) | POLBRAB9ATEAD1TEAD4TEAD2 | |
| SCHEMBL12190 | 0.72 | TEAD1 (0.41) | POLBRAB9ATEAD1TEAD4TEAD2 | |
| SCHEMBL11810 | 0.71 | POLB (0.36) | POLBRAB9AKCNH3LMNAKDM4E | |
| SCHEMBL14328365 | 0.69 | ALDH1A1 (0.43) | POLBTRPA1LMNAKDM4EESR1 | |
| SCHEMBL10388 | 0.69 | DDB1 (0.36) | POLBTRPA1LMNAKDM4EKIF11 | |
| SCHEMBL14316438 | 0.65 | SMN1; SMN2 (0.48) | POLBRAB9ATRPA1LMNAKDM4E | |
| SCHEMBL17845778 | 0.63 | DDB1 (0.36) | POLBRAB9AKCNH3TRPA1LMNA |
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 |