Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.46 |
| ▸ | CNR1 | P21554 | 8/20 | 0.44 |
| ▸ | CNR2 | P34972 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27706717 | 0.91 | CNR1 (0.43) | CNR1CNR2ALDH1A1TSHRTDP1 | |
| SCHEMBL8519170 | 0.88 | ALDH1A1 (0.48) | CNR1CNR2ALDH1A1TSHRTDP1 | |
| SCHEMBL18223904 | 0.88 | ALDH1A1 (0.48) | CNR1CNR2ALDH1A1TSHRTDP1 | |
| SCHEMBL3152828 | 0.86 | ALDH1A1 (0.50) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL5526690 | 0.85 | TYR (0.46) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL27706716 | 0.84 | ESR1 (0.52) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL7970297 | 0.84 | ESR1 (0.50) | ESR1ESR2ALDH1A1TSHRTDP1 | |
| SCHEMBL339165 | 0.84 | ESR1 (0.58) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL10752311 | 0.84 | ESR1 (0.58) | ESR1ESR2CNR1CNR2ALDH1A1 | |
| SCHEMBL5029048 | 0.84 | ESR1 (0.58) | ESR1ESR2CNR1CNR2ALDH1A1 |
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-8101651-B2 | Compounds with activity at estrogen receptors | ACADIA PHARMACEUTICALS INC. (US) | 2012-01-24 | — | — | US | disclosed |