Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23094516 | 0.80 | OGA (0.45) | ALDH1A1TAAR1HDAC6POLBSMN1; SMN2 | |
| SCHEMBL12183157 | 0.80 | CYP1A2 (0.46) | TAAR1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL30635452 | 0.78 | HRH3 (0.52) | ALDH1A1KDM4E | |
| SCHEMBL16815486 | 0.78 | OGA (0.46) | ALDH1A1TAAR1HDAC6POLBSMN1; SMN2 | |
| SCHEMBL12503186 | 0.78 | OGA (0.47) | TAAR1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12874013 | 0.77 | ALDH1A1 (0.47) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL26881476 | 0.76 | AOC3 (0.44) | TAAR1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9944495 | 0.74 | NPC1 (0.44) | ALDH1A1TAAR1POLBSMN1; SMN2NPC1 | |
| SCHEMBL9946220 | 0.74 | KDM4E (0.64) | ALDH1A1TAAR1NPC1RAB9AKDM4E | |
| SCHEMBL16662280 | 0.74 | TAAR1 (0.71) | ALDH1A1TAAR1POLB |
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-2464228-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2017-12-06 | — | — | EP | disclosed |