Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9465980 | 0.92 | CYP2C9 (0.37) | LSSCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL9465854 | 0.91 | MAPT (0.40) | LSSCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL9160972 | 0.91 | PDE2A (0.34) | HDAC3HDAC1HDAC2LSSKDM2B | |
| SCHEMBL9466635 | 0.90 | LSS (0.38) | LSSCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL9465609 | 0.90 | CTSK (0.37) | LSSCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL9465266 | 0.89 | THRB (0.41) | CYP1A2CYP3A4CYP2C19NPC1LMNA | |
| SCHEMBL9466115 | 0.89 | THRB (0.46) | CYP1A2CYP3A4CYP2C19NPC1LMNA | |
| SCHEMBL9164402 | 0.88 | PDE2A (0.32) | HDAC3HDAC1HDAC2LSSPDE2A | |
| SCHEMBL9467383 | 0.88 | MGLL (0.39) | LSSCYP1A2CYP3A4CYP2C19NPC1 | |
| SCHEMBL9465392 | 0.88 | TDP1 (0.34) | LSSCYP1A2CYP3A4CYP2C19NPC1 |
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-5204018-A | LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |