Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13876355 | 0.80 | ESR1 (0.39) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL13096307 | 0.80 | ESR1 (0.39) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL13876358 | 0.80 | ESR1 (0.39) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL25622055 | 0.80 | ESR1 (0.39) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL12264579 | 0.74 | ESR1 (0.39) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL9666603 | 0.73 | SMPD1 (0.44) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL9666713 | 0.72 | NR5A1 (0.42) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL25701605 | 0.72 | ESR1 (0.35) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL25622129 | 0.72 | ESR1 (0.35) | ESR1MEN1NR1I2LMNACHRM2 | |
| SCHEMBL25622140 | 0.72 | MAPT (0.35) | ESR1MEN1NR1I2LMNACHRM2 |
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-0510473-A1 | Thienyl-nonatetraenoic acid derivatives with anti-rheumatic activity | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-28 | — | — | EP | disclosed |