Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 11/20 | 0.65 |
| ▸ | THRA | P10827 | 5/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12432871 | 0.89 | THRB (0.55) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL201318 | 0.89 | THRB (0.55) | THRBTHRAMEN1NR1I2LMNA | |
| SCHEMBL11061192 | 0.88 | NPC1 (0.56) | THRBTHRALMNACYP3A4MAPT | |
| SCHEMBL11706311 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL20556403 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL11062461 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL9626788 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL20556237 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL9628337 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR | |
| SCHEMBL9627118 | 0.87 | THRB (0.67) | THRBTHRAPTPN11TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |