Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.32 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.32 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CAPN1 | P07384 | 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 | |
|---|---|---|---|---|
| SCHEMBL10309 | 0.90 | POLB (0.43) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL14661 | 0.74 | ALDH1A1 (0.40) | POLBGAAKCNH3TEAD1TEAD4 | |
| SCHEMBL10613 | 0.68 | TRPA1 (0.39) | TRPA1DDB1CRBN | |
| SCHEMBL14835 | 0.68 | TEAD1 (0.41) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL14673 | 0.68 | TEAD1 (0.41) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL12190 | 0.68 | TEAD1 (0.41) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL1566071 | 0.67 | MAPT (0.53) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL17845778 | 0.67 | DDB1 (0.36) | POLBHTR2ATRPA1ESR1PGR | |
| SCHEMBL11810 | 0.66 | POLB (0.36) | POLBRAB9AKCNH3LMNAALDH1A1 | |
| SCHEMBL17845579 | 0.66 | DDB1 (0.35) | POLBHTR2ATRPA1ESR1PGR |
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 |