Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 5/20 | 0.63 |
| ▸ | THRB | P10828 | 5/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2358713 | 0.85 | PLA2G2A (0.66) | THRATHRBESR1PLA2G2ATSHR | |
| SCHEMBL25788081 | 0.85 | PLA2G2A (0.66) | THRATHRBESR1PLA2G2ATSHR | |
| SCHEMBL8644661 | 0.85 | PLA2G2A (0.66) | THRATHRBESR1PLA2G2ATSHR | |
| SCHEMBL4898800 | 0.84 | THRA (0.63) | THRATHRBESR1MEN1KMT2A | |
| SCHEMBL11343479 | 0.84 | THRA (0.63) | THRATHRBESR1PLA2G2AS1PR2 | |
| SCHEMBL15731815 | 0.84 | TSHR (0.63) | MEN1KMT2ANR1I2LMNACHRM2 | |
| SCHEMBL30937932 | 0.84 | TSHR (0.63) | MEN1KMT2ANR1I2LMNACHRM2 | |
| SCHEMBL30937931 | 0.84 | TSHR (0.63) | MEN1KMT2ANR1I2LMNACHRM2 | |
| SCHEMBL79175 | 0.84 | TSHR (0.63) | MEN1KMT2ANR1I2LMNACHRM2 | |
| SCHEMBL4685422 | 0.83 | TSHR (0.45) | THRATHRBMEN1KMT2ALMNA |
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 |