Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562772 | 1.00 | NPC1 (0.44) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562421 | 0.99 | NPC1 (0.43) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562426 | 0.99 | NPC1 (0.43) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562505 | 0.96 | NPC1 (0.44) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562502 | 0.96 | NPC1 (0.44) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562766 | 0.96 | NPC1 (0.45) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562770 | 0.96 | NPC1 (0.45) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562627 | 0.95 | NPC1 (0.43) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9562638 | 0.95 | NPC1 (0.43) | NPC1POLBGAAMAPTACHE | |
| SCHEMBL9405769 | 0.95 | GAA (0.42) | NPC1POLBGAAMAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5248447-A | 2,3-difluorohydroquinone derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-09-28 | — | — | US | claimed |
| US-5248447-A | 2,3-difluorohydroquinone derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-09-28 | — | — | US | disclosed |