Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | ACR | P10323 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9841455 | 0.99 | NPC1 (0.44) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9842009 | 0.99 | NPC1 (0.44) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9841499 | 0.99 | NPC1 (0.44) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9842046 | 0.93 | MAPT (0.37) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9841546 | 0.89 | MAPT (0.39) | LMNACYP2C9SMN1; SMN2MAPTKMT2A | |
| SCHEMBL9842126 | 0.84 | CYP2C9 (0.46) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9841724 | 0.84 | CYP2C9 (0.46) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| Fluoride SCHEMBL9841496 | 0.84 | NPC1 (0.46) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| Fluoride SCHEMBL9841982 | 0.84 | NPC1 (0.46) | NPC1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9841474 | 0.84 | CYP2C9 (0.46) | NPC1LMNACYP1A2CYP3A4CYP2D6 |
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-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |