Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM2 | P50570 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9181933 | 0.89 | DNM2 (0.54) | DNM2NPC1MEN1KMT2AEGFR | |
| SCHEMBL5665700 | 0.87 | DNM2 (0.60) | DNM2NPC1MEN1KMT2AEGFR | |
| SCHEMBL374260 | 0.84 | EGFR (0.53) | DNM2NPC1MEN1KMT2AEGFR | |
| SCHEMBL5026959 | 0.81 | CYP2D6 (0.54) | NPC1MEN1KMT2AEGFRALDH1A1 | |
| SCHEMBL20081779 | 0.80 | HRH3 (0.44) | DNM2NPC1MEN1KMT2AEGFR | |
| SCHEMBL16656099 | 0.80 | CYP1A2 (0.54) | NPC1MEN1KMT2AHTTALDH1A1 | |
| SCHEMBL23877916 | 0.80 | HRH3 (0.51) | DNM2NPC1MEN1KMT2AEGFR | |
| SCHEMBL29526065 | 0.79 | SMN1; SMN2 (0.47) | DNM2NPC1MEN1KMT2AHTT | |
| SCHEMBL15923128 | 0.78 | DNM2 (0.55) | DNM2NPC1MEN1KMT2AHTT | |
| SCHEMBL15923413 | 0.78 | DNM2 (0.55) | DNM2NPC1MEN1KMT2AHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105636958-B | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2018-01-05 | — | — | CN | disclosed |
| CN-106986863-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-28 | — | — | CN | disclosed |
| CN-106977495-A | DNA PK inhibitor | 沃泰克斯药物股份有限公司 | 2017-07-25 | — | — | CN | disclosed |