Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.74 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.49 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.49 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12127169 | 0.88 | MAOB (0.64) | NPC1MAOAMAOBPTGS2CA1 | |
| SCHEMBL30587350 | 0.86 | NPC1 (1.00) | NPC1PTGS2CA12CA1CA2 | |
| SCHEMBL446619 | 0.86 | NPC1 (1.00) | NPC1PTGS2CA12CA1CA2 | |
| SCHEMBL28210414 | 0.84 | NPC1 (0.96) | NPC1PTGS2CA12CA1CA2 | |
| SCHEMBL20120884 | 0.82 | NPC1 (0.92) | NPC1PTGS2CA12CA1CA2 | |
| SCHEMBL5850255 | 0.80 | NPC1 (0.79) | NPC1PTGS2CA12CA1CA2 | |
| Diphenylamine SCHEMBL10617435 | 0.78 | TRPA1 (0.71) | NPC1MAOAMAOBPTGS2CA1 | |
| SCHEMBL2052877 | 0.77 | ALDH1A1 (0.55) | MAOAMAOBPTGS2CA1CA2 | |
| SCHEMBL3477416 | 0.77 | FAAH (0.58) | NPC1KDM1ARAB9ACASP3SENP7 | |
| SCHEMBL12069204 | 0.77 | NPC1 (0.74) | NPC1PTGS2CA12CA1CA2 |
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-10173907-B2 | Recyclable porous desalination material | PALO ALTO RESEARCH CENTER INCORPORATED (US) | 2019-01-08 | — | — | US | disclosed |
| US-20180141828-A1 | RECYCLABLE POROUS DESALINATION MATERIAL | Genesee Valley Innovations, LLC | 2018-05-24 | — | — | US | disclosed |