Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.62 |
| ▸ | EGFR | P00533 | 4/20 | 0.56 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2113387 | 0.87 | HDAC6 (0.68) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL3498956 | 0.83 | HDAC6 (0.62) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL3498757 | 0.83 | EGFR (0.58) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL10546887 | 0.82 | MAPT (0.66) | HDAC6HDAC1HDAC2MAPTATM | |
| SCHEMBL28149475 | 0.82 | HDAC6 (0.78) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL28142485 | 0.82 | HDAC6 (0.78) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL15092630 | 0.81 | ALDH1A1 (0.56) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL9122523 | 0.81 | HDAC6 (0.59) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL4910692 | 0.81 | HDAC6 (0.59) | HDAC6HDAC1HDAC2EGFRERBB2 | |
| SCHEMBL15101319 | 0.80 | HDAC6 (0.56) | HDAC6HDAC1HDAC2EGFRERBB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631857-A | Aryl nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-propionyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106631857-A | Aryl nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-propionyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |