Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGFR | P43088 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708747 | 0.82 | TAS1R3 (0.36) | TAS1R3TAS1R1TSHRGABRA1GABRG2 | |
| SCHEMBL21632310 | 0.80 | PTGFR (0.45) | JAK2HSP90AA1RAB9ANPSR1PTGFR | |
| SCHEMBL21656359 | 0.78 | ITGA4 (0.40) | JAK2HSP90AA1RAB9ANPSR1PTGFR | |
| SCHEMBL21708677 | 0.75 | ROCK2 (0.49) | TAS1R3TAS1R1KDM4E | |
| SCHEMBL21708781 | 0.74 | KMT2A (0.39) | TAS1R3TAS1R1TSHRNPSR1PTGFR | |
| SCHEMBL21708758 | 0.72 | ROCK2 (0.45) | TAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL21708613 | 0.72 | TAS1R3 (0.33) | TAS1R3TAS1R1PTGFR | |
| SCHEMBL21708656 | 0.72 | TAS1R3 (0.35) | TAS1R3TAS1R1TSHRGABRA1GABRG2 | |
| SCHEMBL21708663 | 0.71 | ROCK2 (0.44) | TSHRNPSR1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL18782403 | 0.70 | TAS1R3 (0.41) | TAS1R3TAS1R1TSHRJAK2HSP90AA1 |
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 |