Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1898034 | 0.91 | NPC1 (0.44) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL20224593 | 0.85 | NPC1 (0.41) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL20224596 | 0.85 | NPC1 (0.41) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL4761490 | 0.84 | NPC1 (0.40) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL5969117 | 0.82 | — | — | |
| SCHEMBL10147959 | 0.82 | CYP2D6 (0.50) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL20153599 | 0.79 | NPC1 (0.35) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL5968680 | 0.78 | EPHX1 (0.57) | NPC1KMT2AEPHX1CACNA1HCA12 | |
| SCHEMBL14048840 | 0.77 | THRB (0.39) | NPC1GSK3AGSK3BMEN1KMT2A | |
| SCHEMBL25009603 | 0.77 | EPHX1 (0.61) | NPC1KMT2AEPHX1CA12CA1 |
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-8318935-B2 | Organic compounds 75074 | NOVARTIS AG (CH) | 2012-11-27 | — | — | US | disclosed |