Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 0.32 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.32 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL21708743 | 0.81 | MEN1 (0.41) | MEN1KMT2ATSHRATMGAA | |
| SCHEMBL21708762 | 0.80 | KMT2A (0.37) | MEN1KMT2ATSHRATMGAA | |
| SCHEMBL21656314 | 0.77 | GAA (0.42) | MEN1KMT2AATMGAALMNA | |
| SCHEMBL21708773 | 0.77 | TAS1R3 (0.33) | TAS1R3TAS1R1PRSS1CTSGCTRB1 | |
| SCHEMBL21632350 | 0.75 | GAA (0.44) | MEN1KMT2AATMGAALMNA | |
| SCHEMBL21708670 | 0.74 | MEN1 (0.36) | MEN1KMT2ATSHRATMGAA | |
| Hydrochloric Acid SCHEMBL21708672 | 0.73 | NR3C1 (0.36) | TAS1R3TAS1R1NR3C2 | |
| SCHEMBL21708708 | 0.72 | SMN1; SMN2 (0.33) | MEN1KMT2ATSHRGAATAS1R3 | |
| SCHEMBL22445596 | 0.68 | NR3C2 (0.44) | NR3C2 | |
| SCHEMBL22271902 | 0.68 | ATM (0.49) | MEN1KMT2AATMGAALMNA |
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 |