Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.43 |
| ▸ | KLK7 | P49862 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28095641 | 0.83 | MEN1 (0.47) | RAB9ACNR1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL28095286 | 0.77 | CYP1A2 (0.43) | RAB9ATP53KMT2ALMNASMN1; SMN2 | |
| SCHEMBL28044003 | 0.72 | ALDH1A1 (0.45) | POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL27767631 | 0.71 | CYP2C9 (0.44) | POLBTP53KMT2ALMNA | |
| SCHEMBL27382160 | 0.71 | HDAC3 (0.42) | LMNASMN1; SMN2 | |
| SCHEMBL11197611 | 0.71 | LMNA (0.53) | POLBTP53LMNAMDM2SLC6A9 | |
| SCHEMBL10954976 | 0.70 | LMNA (0.68) | SLC6A3RAB9APOLBTP53CNR1 | |
| SCHEMBL8795979 | 0.70 | ALDH1A1 (0.44) | RAB9APOLBKLK7KMT2ALMNA | |
| SCHEMBL11118604 | 0.70 | ALDH1A1 (0.54) | SMN1; SMN2 | |
| SCHEMBL23003724 | 0.69 | KCNQ2 (0.47) | LMNA |
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-106243053-A | A kind of triazolylamide ketone antibacterial, synthetic method and application thereof | 三峡大学 | 2016-12-21 | — | — | CN | disclosed |