Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4793277 | 0.86 | GAA (0.50) | GAAHPGDLMNAKMT2ACYP2D6 | |
| SCHEMBL27528693 | 0.83 | NPC1 (0.47) | NPC1RAB9ALMNAKMT2AMEN1 | |
| SCHEMBL28742879 | 0.82 | NPC1 (0.46) | NPC1RAB9ALMNAKMT2AMEN1 | |
| SCHEMBL8366340 | 0.82 | TP53 (0.50) | GAAHPGDLMNAL3MBTL1KMT2A | |
| SCHEMBL7919231 | 0.82 | MCL1 (0.59) | GAANPC1RAB9AHPGDLMNA | |
| SCHEMBL3073770 | 0.79 | CYP2D6 (0.46) | GAAHPGDLMNAKMT2ACYP2D6 | |
| SCHEMBL29221790 | 0.78 | ALDH1A1 (0.62) | GAAHPGDLMNAKMT2ACYP2D6 | |
| SCHEMBL27528690 | 0.76 | NPC1 (0.46) | NPC1RAB9ALMNAKMT2AMEN1 | |
| SCHEMBL23686835 | 0.75 | NPC1 (0.62) | NPC1RAB9AHPGDKMT2AMEN1 | |
| SCHEMBL5013102 | 0.75 | KMT2A (0.51) | GAARAB9AHPGDLMNAKMT2A |
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-101775613-B | Electrochemical synthesis method for preparing halogenated hydantoin | UNIV HUBEI | 2013-05-15 | — | — | CN | disclosed |
| CN-101775613-A | Electrochemical synthesis method for preparing halogenated hydantoin | UNIV HUBEI | 2010-07-14 | — | — | CN | disclosed |