Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.68 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.68 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.57 |
| ▸ | SMO | Q99835 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28232821 | 0.86 | EGFR (0.71) | EGFRERBB2NPC1RAB9AMEN1 | |
| SCHEMBL31060864 | 0.85 | EGFR (0.73) | EGFRERBB2NPC1RAB9AMEN1 | |
| SCHEMBL15097414 | 0.84 | KMT2A (0.66) | EGFRERBB2NPC1RAB9AMEN1 | |
| SCHEMBL28468321 | 0.84 | EGFR (0.65) | EGFRERBB2HDAC1HDAC2HDAC6 | |
| SCHEMBL9122523 | 0.82 | HDAC6 (0.59) | EGFRERBB2NPC1RAB9AMEN1 | |
| SCHEMBL28477425 | 0.81 | EGFR (0.60) | EGFRERBB2PTPN1SMOMEN1 | |
| SCHEMBL126415 | 0.79 | PTPN1 (0.87) | PTPN1SMONPC1RAB9AMEN1 | |
| SCHEMBL28469673 | 0.79 | EGFR (0.69) | EGFRERBB2HDAC1HDAC2HDAC6 | |
| SCHEMBL29212211 | 0.78 | PTPN1 (0.67) | PTPN1SMONPC1RAB9AMEN1 | |
| SCHEMBL4910692 | 0.78 | HDAC6 (0.59) | EGFRERBB2NPC1RAB9AMEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631856-B | Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-benzoyl -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-03-19 | — | — | CN | claimed |
| CN-106631856-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | claimed |
| CN-106631856-B | Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-benzoyl -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-03-19 | — | — | CN | disclosed |
| CN-106631856-B | Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-benzoyl -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-03-19 | — | — | CN | disclosed |
| CN-106631856-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106631856-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106631856-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |