Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
| ▸ | PTGFR | P43088 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708790 | 0.83 | NPC1 (0.32) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL21708765 | 0.81 | PLCG1 (0.33) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL21708708 | 0.79 | SMN1; SMN2 (0.33) | RAB9AALDH1A1KDM4EPTGFRKMT2A | |
| SCHEMBL21656312 | 0.78 | POLB (0.38) | NPC1RAB9AALDH1A1PTGFRTDP1 | |
| SCHEMBL21708759 | 0.75 | NPC1 (0.32) | NPC1RAB9AANO1KMT2AGAA | |
| SCHEMBL21631978 | 0.75 | PTGFR (0.44) | PTGFRKMT2AL3MBTL1 | |
| SCHEMBL21708773 | 0.74 | TAS1R3 (0.33) | ALDH1A1HPGDTAS1R3TAS1R1 | |
| SCHEMBL21708655 | 0.71 | MEN1 (0.38) | ALDH1A1KDM4EKMT2AATMCYP3A4 | |
| SCHEMBL21708761 | 0.70 | NISCH (0.35) | ALDH1A1KDM4EKMT2AGAATAS1R3 | |
| SCHEMBL21708704 | 0.68 | TAS1R3 (0.33) | ALDH1A1HPGDL3MBTL1TAS1R3TAS1R1 |
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 |