Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4435825 | 0.81 | CES2 (0.54) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL3269025 | 0.80 | CES2 (0.61) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL29281060 | 0.79 | CES2 (0.59) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL28036133 | 0.78 | RAB9A (0.49) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8400060 | 0.77 | PARP1 (0.58) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL28075891 | 0.77 | CES2 (0.57) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL28748136 | 0.77 | CES2 (0.57) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL3362925 | 0.77 | CES2 (0.61) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL8015553 | 0.77 | CES2 (0.61) | CES2CES1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL28238806 | 0.76 | CES2 (0.56) | CES2CES1CHRNB2SLC6A2CHRNB4 |
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-103965161-A | Substituted 2-aminopyridine inhibitor for protein kinase | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2014-08-06 | — | — | CN | disclosed |
| CN-103965168-A | Aryl/heteroaryl-substituted 2-aminopyridine inhibitor for protein kinase | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2014-08-06 | — | — | CN | disclosed |