Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 5/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.31 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
| ▸ | CTSG | P08311 | 1/20 | 0.30 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21708704 | 0.88 | TAS1R3 (0.33) | TAS1R3TAS1R1KIF11 | |
| SCHEMBL21708743 | 0.87 | MEN1 (0.41) | TAS1R3TAS1R1 | |
| SCHEMBL21708725 | 0.81 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL21708656 | 0.81 | TAS1R3 (0.35) | TAS1R3TAS1R1 | |
| SCHEMBL21708782 | 0.80 | SMN1; SMN2 (0.36) | HDAC6ADRB3 | |
| SCHEMBL21708772 | 0.80 | PTGFR (0.34) | TAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL21708639 | 0.79 | PTGFR (0.33) | — | |
| Hydrochloric Acid SCHEMBL21708672 | 0.79 | NR3C1 (0.36) | TAS1R3TAS1R1 | |
| SCHEMBL21656595 | 0.78 | KCNN4 (0.39) | HDAC3HDAC1HDAC2HDAC6KCNN4 | |
| SCHEMBL21631996 | 0.74 | CYP2C19 (0.53) | HDAC3HDAC1HDAC2HDAC6KCNN4 |
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-3609869-A1 | SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2020-02-19 | — | — | EP | disclosed |