Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL311275 | 0.86 | GSK3B (0.60) | TAS1R3TAS1R1TAS1R2GSK3BKCNQ3 | |
| SCHEMBL29391582 | 0.86 | GSK3B (0.60) | TAS1R3TAS1R1TAS1R2GSK3BKCNQ3 | |
| SCHEMBL27503767 | 0.80 | KCNQ3 (0.44) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| SCHEMBL7144096 | 0.80 | GSK3B (0.59) | TAS1R3TAS1R1TAS1R2GSK3BKCNQ3 | |
| SCHEMBL22570695 | 0.79 | KCNQ3 (0.43) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| SCHEMBL2538090 | 0.79 | TSHR (0.58) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| SCHEMBL20084007 | 0.77 | KCNQ3 (0.47) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| SCHEMBL4712029 | 0.77 | NPC1 (0.47) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| Hydrochloric Acid SCHEMBL29391461 | 0.77 | KMO (0.44) | TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2 | |
| SCHEMBL11743831 | 0.76 | USP5 (0.49) | TSHRNPC1RAB9AMEN1KMT2A |
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-3997096-A1 | NEW HETEROCYCLIC COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2022-05-18 | — | — | EP | disclosed |