Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.42 |
| ▸ | VNN1 | O95497 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31316874 | 0.84 | LMNA (0.53) | CES2CES1RAB9ATSHRMAPK1 | |
| SCHEMBL788761 | 0.84 | LMNA (0.53) | CES2CES1RAB9ATSHRMAPK1 | |
| SCHEMBL15539961 | 0.83 | PARP1 (0.53) | CES2CES1VNN1TSHRTDP1 | |
| SCHEMBL789006 | 0.83 | CES2 (0.43) | CES2CES1RAB9ANPC1TSHR | |
| SCHEMBL7756159 | 0.82 | CES2 (0.46) | CES2CES1HSD17B14VNN1RAB9A | |
| SCHEMBL7967901 | 0.78 | CES2 (0.73) | CES2CES1HSD17B14VNN1RAB9A | |
| SCHEMBL5019978 | 0.78 | HDAC6 (0.47) | TSHRHPGDSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL788674 | 0.78 | ERN1 (0.44) | CES2CES1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL31316822 | 0.78 | HDAC6 (0.47) | TSHRHPGDSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL17400893 | 0.78 | CA1 (0.52) | RAB9ANPC1TSHRHPGDSMN1; SMN2 |
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-102971291-A | Novel amide derivative and use thereof as medicine | MITSUBISHI TANABE PHARMA CORP | 2013-03-13 | — | — | CN | disclosed |