Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.42 |
| ▸ | CTSG | P08311 | 2/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | CMA1 | P23946 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579006 | 0.84 | NPC1 (0.48) | NPC1MAPTRAB9APRSS1CTSG | |
| SCHEMBL27765430 | 0.84 | NPC1 (0.48) | NPC1MAPTRAB9APRSS1CTSG | |
| SCHEMBL29046848 | 0.79 | NPC1 (0.43) | NPC1MAPTRAB9APRSS1CTSG | |
| SCHEMBL29060746 | 0.74 | CTSK (0.47) | NPC1MAPTRAB9ACTRB1CTSK | |
| SCHEMBL27794800 | 0.73 | CTSK (0.49) | NPC1MAPTRAB9ACTSKSCN9A | |
| SCHEMBL15311168 | 0.73 | CTSK (0.49) | NPC1MAPTRAB9ACTSKSCN9A | |
| SCHEMBL14716956 | 0.73 | CTSK (0.49) | NPC1MAPTRAB9ACTSKSCN9A | |
| SCHEMBL395107 | 0.72 | SCN9A (0.47) | NPC1MAPTRAB9ACTSKKMT2A | |
| SCHEMBL27496212 | 0.72 | SCN9A (0.47) | NPC1MAPTRAB9ACTSKKMT2A | |
| SCHEMBL27812309 | 0.72 | CTSK (0.48) | NPC1MAPTRAB9ACTSKSCN9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1777601-A | Nk-2 antagonist basic linear compounds and formulations containing them | MENARINI RICERCHE SPA (IT) | 2006-05-24 | — | — | CN | disclosed |