Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL1012956 | 0.86 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1KIF11MAPT | |
| SCHEMBL29389980 | 0.86 | ALDH1A1 (0.46) | NPC1RAB9AALDH1A1KIF11MAPT | |
| SCHEMBL1013065 | 0.84 | ALDH1A1 (0.42) | NPC1RAB9AALDH1A1LMNAKIF11 | |
| SCHEMBL28330431 | 0.84 | LMNA (0.64) | NPC1RAB9AALDH1A1LMNAKIF11 | |
| SCHEMBL1011410 | 0.83 | HSP90AA1 (0.62) | NPC1RAB9AALDH1A1MAPTHPGD | |
| SCHEMBL28879162 | 0.82 | ADORA3 (0.52) | NPC1RAB9AALDH1A1LMNAKIF11 | |
| SCHEMBL4816969 | 0.80 | NPC1 (0.39) | NPC1RAB9AALDH1A1LMNAKIF11 | |
| SCHEMBL15745465 | 0.80 | MEN1 (0.59) | NPC1RAB9AALDH1A1LMNAMAPT | |
| SCHEMBL11976575 | 0.80 | TSHR (0.56) | NPC1RAB9AALDH1A1KIF11XDH | |
| SCHEMBL11976556 | 0.80 | TSHR (0.56) | NPC1RAB9AALDH1A1KIF11XDH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016000803-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-01-07 | — | — | WO | disclosed |