Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 4/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28769030 | 0.86 | ALDH1A1 (0.59) | TSHRALDH1A1TDP1SMN1; SMN2HPGD | |
| SCHEMBL30197351 | 0.84 | KMT2A (0.54) | TSHRALDH1A1TDP1FAAHTRPA1 | |
| SCHEMBL6557587 | 0.83 | ALDH1A1 (0.50) | TSHRALDH1A1TDP1FAAHTRPA1 | |
| SCHEMBL12313028 | 0.82 | MEN1 (0.42) | TSHRALDH1A1FAAHKMT2AMAPT | |
| SCHEMBL84084 | 0.81 | — | — | |
| SCHEMBL7110229 | 0.81 | — | — | |
| SCHEMBL23631357 | 0.80 | TSHR (0.48) | TSHRALDH1A1FAAHTRPA1KMT2A | |
| SCHEMBL18623650 | 0.80 | TSHR (0.48) | TSHRALDH1A1FAAHTRPA1KMT2A | |
| SCHEMBL2691938 | 0.80 | TSHR (0.48) | TSHRALDH1A1FAAHTRPA1KMT2A | |
| SCHEMBL22492168 | 0.80 | TSHR (0.48) | TSHRALDH1A1FAAHTRPA1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008009695-A1 | REARRANGEMENT OF SPIROLACTAMS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-01-24 | — | — | WO | disclosed |