Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13877401 | 0.86 | PDE2A (0.50) | NQO1TSHRTDP1MEN1KMT2A | |
| SCHEMBL17658890 | 0.85 | NQO1 (0.48) | NQO1TSHRTDP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4234012 | 0.84 | PDE2A (0.49) | NQO1TSHRTDP1MEN1KMT2A | |
| SCHEMBL18450983 | 0.83 | FFAR1 (0.42) | CYP3A4FFAR1FFAR4ALDH1A1 | |
| SCHEMBL26100040 | 0.83 | CYP2C9 (0.48) | MEN1KMT2APDE2AALDH1A1MAPT | |
| SCHEMBL18450982 | 0.83 | FFAR1 (0.42) | CYP3A4FFAR1FFAR4ALDH1A1 | |
| SCHEMBL19121874 | 0.82 | NQO1 (0.45) | NQO1TSHRTDP1MEN1KMT2A | |
| SCHEMBL16951391 | 0.82 | NQO1 (0.45) | NQO1TSHRTDP1MEN1KMT2A | |
| SCHEMBL2823287 | 0.81 | CYP2D6 (0.53) | MEN1KMT2APDE2AHTT | |
| SCHEMBL3702003 | 0.81 | CYP2D6 (0.53) | MEN1KMT2APDE2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111108092-A | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-05-05 | — | — | CN | disclosed |