Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17240319 | 0.79 | NPC1 (0.37) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL17240325 | 0.79 | NPC1 (0.37) | KDM4ENPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL4158262 | 0.78 | RECQL (0.50) | CES2CES1DAOGSK3BKMT2A | |
| SCHEMBL4158261 | 0.78 | RECQL (0.50) | CES2CES1DAOGSK3BKMT2A | |
| SCHEMBL4158257 | 0.78 | RECQL (0.50) | CES2CES1DAOGSK3BKMT2A | |
| SCHEMBL9436124 | 0.75 | PLAU (0.49) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9436127 | 0.75 | PLAU (0.49) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1172994 | 0.72 | CES2 (0.42) | CES2CES1DAOGSK3BKMT2A | |
| SCHEMBL28685746 | 0.67 | RECQL (0.60) | CES2CES1GSK3BKMT2AKDM4E | |
| SCHEMBL28724786 | 0.67 | RECQL (0.60) | CES2CES1GSK3BKMT2AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106243116-A | A kind of trans A2b2type derivatives of porphyrin and preparation method and application | 华南理工大学 | 2016-12-21 | — | — | CN | disclosed |