Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 5/20 | 0.51 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | RARA | P10276 | 3/20 | 0.35 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | RARG | P13631 | 3/20 | 0.35 |
| ▸ | FABP6 | P51161 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21757599 | 0.80 | KMT2A (0.36) | AKR1B1RARARARBRARGKMT2A | |
| SCHEMBL12188672 | 0.76 | AKR1B1 (0.57) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL3424941 | 0.75 | AKR1B1 (0.51) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL17729307 | 0.73 | AKR1B1 (0.55) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL21757625 | 0.72 | HDAC4 (0.33) | — | |
| SCHEMBL12257631 | 0.71 | AKR1B1 (0.52) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL12691918 | 0.71 | AKR1B1 (0.52) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL30353231 | 0.71 | AKR1B1 (0.55) | AKR1B1AKR1B10MAPTAKR1A1FABP6 | |
| SCHEMBL12691756 | 0.70 | AKR1B1 (0.51) | AKR1B1AKR1B10MAPTAKR1A1RARA | |
| SCHEMBL13183293 | 0.69 | AKR1B1 (0.56) | AKR1B1AKR1B10MAPTAKR1A1RARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3215509-B1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC (US) | 2020-02-26 | — | — | EP | disclosed |