Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7567521 | 0.78 | CSNK2A2 (0.32) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| Hydrochloric Acid SCHEMBL7567523 | 0.78 | CYP2D6 (0.35) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| SCHEMBL198461 | 0.71 | CSNK2A2 (0.52) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| SCHEMBL5344338 | 0.69 | CYP2D6 (0.36) | MGLLCYP2D6CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL11382359 | 0.69 | CSNK2A2 (0.50) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| Ethane SCHEMBL3687850 | 0.69 | CSNK2A2 (0.50) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| SCHEMBL2776956 | 0.69 | CSNK2A2 (0.50) | TRPA1MGLLCYP2D6CSNK2A2CSNK2B | |
| SCHEMBL3980393 | 0.68 | MAOA (0.43) | CYP2D6LMNAMAPTTSHRNPC1 | |
| SCHEMBL28654786 | 0.67 | ALDH1A1 (0.43) | LMNAMAPTL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL3209410 | 0.67 | PDCD1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232516-B1 | Process for cyclopentadiene substitution | DSM N.V. (NL) | 2001-05-15 | — | — | US | disclosed |