Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708708 | 0.92 | SMN1; SMN2 (0.33) | TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL21708674 | 0.79 | ADRB2 (0.33) | TAS1R3TAS1R1PRSS1CTSGCTRB1 | |
| SCHEMBL21708655 | 0.77 | MEN1 (0.38) | TAS1R3TAS1R1PRSS1CTSGCTRB1 | |
| SCHEMBL21656189 | 0.76 | CTSS (0.33) | — | |
| SCHEMBL21708725 | 0.76 | SMN1; SMN2 (0.35) | ALDH1A1HPGD | |
| SCHEMBL21708656 | 0.76 | TAS1R3 (0.35) | TAS1R3TAS1R1 | |
| SCHEMBL21708779 | 0.74 | NPC1 (0.33) | TAS1R3TAS1R1ALDH1A1HPGD | |
| SCHEMBL21708691 | 0.74 | LMNA (0.36) | ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL21631960 | 0.73 | PTGFR (0.38) | — | |
| SCHEMBL21708652 | 0.72 | TAS1R3 (0.34) | TAS1R3TAS1R1PRSS1CTSGCTRB1 |
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 |