Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 3/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | FABP7 | O15540 | 1/20 | 0.33 |
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9800839 | 0.94 | RARB (0.36) | NPC1RAB9AALDH1A1 | |
| SCHEMBL9800811 | 0.85 | ALDH1A1 (0.37) | RAB9AMEN1ALDH1A1KMT2AFFAR4 | |
| SCHEMBL10416709 | 0.83 | AOC3 (0.36) | NPC1RAB9AFFAR4ACACBFFAR1 | |
| SCHEMBL10416710 | 0.83 | AOC3 (0.36) | NPC1RAB9AFFAR4ACACBFFAR1 | |
| SCHEMBL9800819 | 0.79 | MGLL (0.40) | NPC1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL10418078 | 0.78 | SPHK1 (0.39) | FFAR4 | |
| SCHEMBL10418079 | 0.78 | SPHK1 (0.39) | FFAR4 | |
| SCHEMBL11409056 | 0.77 | NPC1 (0.39) | NPC1RAB9AKDM1AALDH1A1ACACB | |
| SCHEMBL9800831 | 0.77 | KDM1A (0.47) | KDM1AMEN1KMT2AACACB | |
| SCHEMBL10418986 | 0.77 | SPHK1 (0.43) | FFAR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0249081-B1 | TRANSHEXAHYDROTEREPHTALIC ACID ESTER DERIVATIVES | Sato, Hisato (JP) | 1991-03-13 | — | — | EP | disclosed |
| US-4946991-A | Liquid ccrystals or their additives | SATO HISATO (JP) | 1990-08-07 | — | — | US | disclosed |