Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7517167 | 0.97 | CYP3A4 (0.33) | CYP3A4TDP1TSHRALOX15SMN1; SMN2 | |
| SCHEMBL5082011 | 0.86 | ALDH1A1 (0.35) | CYP3A4TDP1ALOX15SMN1; SMN2ALDH1A1 | |
| SCHEMBL27909752 | 0.83 | CYP3A4 (0.43) | CYP3A4TDP1TSHRALOX15SMN1; SMN2 | |
| SCHEMBL9382243 | 0.82 | IDO1 (0.47) | CYP3A4TDP1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL3838657 | 0.82 | PRKCI (0.34) | ALDH1A1 | |
| SCHEMBL28216128 | 0.81 | POLB (0.38) | CYP3A4TDP1TSHRALOX15SMN1; SMN2 | |
| SCHEMBL28120010 | 0.81 | — | — | |
| SCHEMBL28297642 | 0.81 | TDP1 (0.31) | TDP1THRB | |
| SCHEMBL27966908 | 0.81 | KDM4E (0.34) | CYP3A4TSHRALDH1A1 | |
| SCHEMBL3674257 | 0.79 | NOS2 (0.33) | SKP2 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106631874-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | claimed |
| CN-106631857-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-propiono -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | claimed |
| CN-106631874-A | Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | claimed |
| 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 | claimed |
| CN-106631857-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-propiono -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106631874-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106631874-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106631857-B | Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-propiono -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106631876-B | (2- the chloroethyl)-N '-myristoyl of nitrogen mustard derivatives N, N- bis- base-Isosorbide-5-Nitrae-phenylenediamine and preparation method thereof | 长安大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-106631876-B | (2- the chloroethyl)-N '-myristoyl of nitrogen mustard derivatives N, N- bis- base-Isosorbide-5-Nitrae-phenylenediamine and preparation method thereof | 长安大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-106631875-B | Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-hexadecanoyl group -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-106631875-B | Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-hexadecanoyl group -1,4- phenylenediamine and preparation method thereof | 长安大学 | 2019-05-03 | — | — | 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-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-106631876-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-myristoyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-106631875-A | Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-hexadecanoyl-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-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-106631874-A | Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof | 长安大学 | 2017-05-10 | — | — | CN | disclosed |
| EP-1897561-A1 | Polymeric prodrugs of amino- and hydroxyl-containing bioactive agents | ENZON, INC. (US) | 2008-03-12 | — | — | EP | disclosed |