Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | UBE2N | P61088 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608440 | 0.70 | ESR1 (0.38) | ESR1ESR2PDK2 | |
| SCHEMBL30040937 | 0.70 | ESR1 (0.38) | ESR1ESR2PDK2 | |
| SCHEMBL4147103 | 0.66 | — | — | |
| SCHEMBL17627642 | 0.64 | GAA (0.35) | ESR1ESR2MEN1MAPTKMT2A | |
| SCHEMBL7652059 | 0.64 | MAOB (0.37) | TP53TSHRMAPK1 | |
| SCHEMBL2731093 | 0.63 | ADORA3 (0.41) | PDK2ADORA3MEN1KMT2A | |
| SCHEMBL14410910 | 0.62 | ESR1 (0.36) | ESR1ESR2PDK2 | |
| SCHEMBL7941719 | 0.61 | PDK2 (0.33) | PDK2TSHR | |
| Hydrochloric Acid SCHEMBL2780496 | 0.60 | MEN1 (0.30) | MEN1TP53MAPTTSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL1129489 | 0.60 | — | — |
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-6271194-B1 | PERFUME | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2001-08-07 | — | — | US | disclosed |