Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL26679679 | 0.84 | ALDH1A1 (0.34) | FBP1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL20488677 | 0.79 | LMNA (0.43) | ALDH1A1L3MBTL1LMNARAB9A | |
| SCHEMBL20487380 | 0.79 | LMNA (0.43) | ALDH1A1L3MBTL1LMNARAB9AKDM4E | |
| SCHEMBL20488486 | 0.75 | EPRS1 (0.37) | ALDH1A1MEN1KMT2ASMN1; SMN2LMNA | |
| SCHEMBL20487613 | 0.73 | LMNA (0.35) | ALDH1A1L3MBTL1LMNA | |
| SCHEMBL26679676 | 0.69 | ALDH1A1 (0.33) | FBP1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL20489090 | 0.69 | KRAS (0.32) | LMNA | |
| SCHEMBL25930458 | 0.67 | NPC1 (0.36) | ALDH1A1MAPTKMT2ASMN1; SMN2PKM | |
| SCHEMBL20487623 | 0.65 | TSHR (0.39) | ALDH1A1MAPTKMT2ASMN1; SMN2HTT | |
| SCHEMBL18862781 | 0.65 | ERN1 (0.50) | FBP1GPR35ALDH1A1MEN1MAPT |
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-3846803-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS | Achillion Pharmaceuticals, Inc. (US) | 2021-07-14 | — | — | EP | disclosed |