Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7729984 | 0.79 | PRSS1 (0.42) | KMT2AHPGDCTSKPRSS1CTSG | |
| SCHEMBL7720001 | 0.78 | LMNA (0.48) | CYP2C19CYP2D6KMT2AKDM4AHPGD | |
| SCHEMBL7419071 | 0.77 | LNPEP (0.44) | KMT2AHPGDPOLBCTSKPRSS1 | |
| SCHEMBL8789090 | 0.76 | PPARG (0.51) | POLBPRSS1CTSGCTRB1CMA1 | |
| SCHEMBL7724416 | 0.75 | EGFR (0.44) | KMT2AHPGDPOLBCTSKLMNA | |
| SCHEMBL7724420 | 0.75 | EGFR (0.44) | KMT2AHPGDPOLBCTSKLMNA | |
| SCHEMBL7724590 | 0.74 | NAAA (0.40) | KMT2AHPGDPOLBCTSKLMNA | |
| SCHEMBL7720013 | 0.74 | LMNA (0.39) | KMT2AHPGDPOLBCTSKLMNA | |
| SCHEMBL1667087 | 0.73 | FAAH (0.44) | POLBLMNAPPARGPPARA | |
| SCHEMBL7725838 | 0.73 | GAA (0.44) | KMT2AHPGDPOLBLMNAPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6403818-B1 | ONE POT PROCESS STARTING FROM CARBONYL COMPOUND, ALCOHOL, THIOL OR AMINE, AND PROTECTED HYDROXYDICYANO COMPOUND | EISAI CO., LTD. (JP) | 2002-06-11 | — | — | US | disclosed |