Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531975 | 0.77 | TSHR (0.50) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL23781410 | 0.77 | TSHR (0.50) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL6685341 | 0.77 | TSHR (0.50) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL28366627 | 0.77 | TSHR (0.50) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL5740730 | 0.76 | TAAR1 (0.50) | TSHRKCNN4TAAR1MAPK1ALDH1A1 | |
| SCHEMBL206264 | 0.75 | CYP2C19 (0.45) | KCNN4TAAR1MAPK1ALDH1A1CYP2C19 | |
| SCHEMBL825609 | 0.75 | TSHR (0.48) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL2121739 | 0.74 | TAAR1 (0.48) | TSHRKCNN4TAAR1MAPK1ALDH1A1 | |
| SCHEMBL6682491 | 0.74 | KCNN4 (0.46) | TSHRKCNN4CYP1A2TAAR1MAPK1 | |
| SCHEMBL5161709 | 0.73 | TSHR (0.46) | TSHRKCNN4CYP1A2TAAR1ALDH1A1 |
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-4957934-A | AROMATASE INHIBITORS, TREATMENT OF STEROID HORMONE DEPENDENT DISEASES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-09-18 | — | — | US | disclosed |