Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL10695866 | 0.84 | MAP1LC3B (0.38) | ESR2 | |
| SCHEMBL918249 | 0.82 | SLC2A1 (0.41) | SLC18A3HPGDPOLBCYP2C9 | |
| SCHEMBL9810698 | 0.81 | SLC18A3 (0.44) | SLC18A3HPGDNPC1RAB9A | |
| SCHEMBL14864487 | 0.78 | NPC1 (0.38) | SLC18A3ESR2NPC1RAB9A | |
| SCHEMBL5284 | 0.78 | SLC18A3 (0.50) | SLC18A3DDB1CRBNESR2CYP19A1 | |
| SCHEMBL900534 | 0.78 | SLC18A3 (0.50) | SLC18A3DDB1CRBNESR2CYP19A1 | |
| SCHEMBL1128088 | 0.78 | SLC18A3 (0.50) | SLC18A3DDB1CRBNESR2CYP19A1 | |
| SCHEMBL9347324 | 0.77 | SLC18A3 (0.45) | SLC18A3POLB | |
| Hydrochloric Acid SCHEMBL20543303 | 0.76 | SLC18A3 (0.48) | SLC18A3DDB1CRBNESR2CYP19A1 | |
| Ethoxycarbonyl Group SCHEMBL27869709 | 0.73 | NOS3 (0.38) | SLC18A3ESR2CYP19A1CYP2C9ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0272580-A2 | Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same | Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) | 1988-06-29 | — | — | EP | disclosed |