Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TST | Q16762 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7164843 | 1.00 | ESR1 (0.42) | ESR1ACHEADRA2AADORA3TACR2 | |
| SCHEMBL8889073 | 1.00 | ESR1 (0.42) | ESR1ACHEADRA2AADORA3TACR2 | |
| SCHEMBL8887955 | 1.00 | ESR1 (0.42) | ESR1ACHEADRA2AADORA3TACR2 | |
| SCHEMBL8887933 | 0.99 | CYP4F2 (0.41) | ESR1ACHEADRA2AADORA3TACR2 | |
| SCHEMBL7165615 | 0.94 | PPARG (0.41) | ESR1ACHEADRA2AADORA3TACR2 | |
| SCHEMBL8890406 | 0.88 | CA3 (0.42) | ESR1ADRA2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8888505 | 0.80 | MGLL (0.50) | MGLLCYP4F2CYP4A11 | |
| SCHEMBL8890354 | 0.80 | MGLL (0.50) | MGLLCYP4F2CYP4A11 | |
| SCHEMBL8888854 | 0.80 | MGLL (0.50) | MGLLCYP4F2CYP4A11 | |
| SCHEMBL8793241 | 0.79 | GLA (0.43) | KDM4EHIF1ACYP4F2CYP4A11PPARG |
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-1997000249-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-03 | — | — | WO | disclosed |