Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24331124 | 0.79 | HSP90AA1 (0.45) | NPSR1ADORA2A | |
| SCHEMBL29515175 | 0.79 | HSP90AA1 (0.45) | NPSR1ADORA2A | |
| SCHEMBL26783458 | 0.78 | MRGPRX4 (0.37) | TAS1R3TAS1R1TAS1R2HSD17B10KMT2A | |
| SCHEMBL24332218 | 0.77 | TSHR (0.46) | KMT2AKDM4EALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL29515246 | 0.77 | TSHR (0.46) | KMT2AKDM4EALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL25359894 | 0.75 | SLC40A1 (0.47) | KMT2AKDM4EALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL29515216 | 0.75 | SLC40A1 (0.47) | KMT2AKDM4EALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL29515197 | 0.71 | LCK (0.32) | POLBHSD17B10KDM4EALDH1A1 | |
| SCHEMBL24331097 | 0.71 | LCK (0.32) | POLBHSD17B10KDM4EALDH1A1 | |
| SCHEMBL24331363 | 0.69 | LCK (0.43) | — |
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-4225762-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |