Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8154283 | 0.99 | LMNA (0.45) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8154638 | 0.96 | TSHR (0.43) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8160067 | 0.91 | KMT2A (0.43) | TP53LMNAALDH1A1MEN1KMT2A | |
| SCHEMBL8160297 | 0.85 | TSHR (0.47) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8145925 | 0.85 | LMNA (0.50) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8154501 | 0.84 | TSHR (0.48) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8146380 | 0.82 | MEN1 (0.50) | TSHRMAPK1LMNAMEN1KMT2A | |
| SCHEMBL8152892 | 0.81 | TDP1 (0.45) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL27946955 | 0.81 | CES2 (0.50) | TSHRCYP3A4TP53MAPK1LMNA | |
| SCHEMBL8159445 | 0.81 | PTPN11 (0.39) | TSHRCYP3A4TP53MAPK1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996432-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUMINSTITUT (DK) | 2000-05-03 | — | — | EP | claimed |
| WO-1999000114-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUM INSTITUT (DK) | 1999-01-07 | — | — | WO | claimed |