Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29836467 | 0.81 | GABRA1 (0.48) | SMN1; SMN2TP53MAPK1POLBHTT | |
| SCHEMBL30402247 | 0.81 | GABRA1 (0.48) | SMN1; SMN2TP53MAPK1POLBHTT | |
| SCHEMBL8989595 | 0.80 | GABRA1 (0.47) | SMN1; SMN2TP53MAPK1POLBHTT | |
| SCHEMBL30438452 | 0.80 | GABRA1 (0.47) | SMN1; SMN2TP53MAPK1POLBHTT | |
| SCHEMBL2165152 | 0.79 | GABRA1 (0.50) | SMN1; SMN2TP53MAPK1POLBHTT | |
| Butane SCHEMBL27660448 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2TP53MAPK1POLBCNR1 | |
| Butane SCHEMBL11610918 | 0.79 | ALDH1A1 (0.50) | SMN1; SMN2TP53MAPK1POLBCNR1 | |
| Tridecane SCHEMBL15418508 | 0.77 | CNR2 (0.45) | SMN1; SMN2TP53MAPK1POLBNPC1 | |
| Butylated Hydroxytoluene SCHEMBL23799274 | 0.77 | ALDH1A1 (0.51) | SMN1; SMN2MAPK1POLBNPC1RAB9A | |
| SCHEMBL15485283 | 0.76 | ALDH1A1 (0.59) | SMN1; SMN2TP53MAPK1POLBHTT |
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-4104255-A | DI-(3,5-DICYCLOPENTYL-4-HYDROXYBENZYL) SULFIDE | ETHYL CORPORATION (US) | 1978-08-01 | — | — | US | disclosed |