Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20912419 | 0.98 | NPC1 (0.58) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL20912424 | 0.94 | NPC1 (0.56) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL20912418 | 0.87 | POLB (0.53) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL29114055 | 0.87 | NPC1 (0.63) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL20912445 | 0.80 | NPC1 (0.62) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL713455 | 0.79 | NPC1 (0.68) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL4368662 | 0.79 | NPC1 (0.68) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL4370700 | 0.79 | NPC1 (0.68) | NPC1HPGDPOLBTDP1USP2 | |
| SCHEMBL8906376 | 0.79 | TAAR1 (0.41) | NPC1HPGDPOLBUSP2ALDH1A1 | |
| SCHEMBL4369177 | 0.79 | NPC1 (0.68) | NPC1HPGDPOLBTDP1USP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7674397-B2 | Reactive mesogenic charge transport compounds | Merck Patent Gesellschaff mit beschrankter Haftung (DE) | 2010-03-09 | — | — | US | disclosed |
| US-7674397-B2 | Reactive mesogenic charge transport compounds | Merck Patent Gesellschaff mit beschrankter Haftung (DE) | 2010-03-09 | — | — | US | disclosed |
| EP-1903036-A1 | Reactive mesogenic charge transport compounds containing at least two thiophene groups | Merck Patent GmbH (DE) | 2008-03-26 | — | — | EP | disclosed |
| EP-1876177-A2 | Reactive mesogenic charge transport compounds | Merck Patent GmbH (DE) | 2008-01-09 | — | — | EP | disclosed |