Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | SLC28A3 | Q9HAS3 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL6017533 | 0.97 | TBXAS1 (0.53) | TBXAS1ESR1ESR2TAAR1CALM1 | |
| SCHEMBL11411805 | 0.89 | ESR1 (0.52) | TBXAS1ESR1ESR2TAAR1ADRA2A | |
| SCHEMBL4642035 | 0.83 | TBXAS1 (0.53) | TBXAS1TAAR1LMNATERTALOX15 | |
| SCHEMBL8958092 | 0.82 | TAAR1 (0.65) | TBXAS1TAAR1LMNATERT | |
| SCHEMBL9777191 | 0.81 | TBXAS1 (0.60) | TBXAS1TAAR1ADRA2AALDH1A1ADRA2B | |
| SCHEMBL5681941 | 0.81 | TBXAS1 (0.55) | TBXAS1TAAR1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3645890 | 0.81 | TAAR1 (0.62) | TBXAS1TAAR1ADRA2ALMNAADRA2B | |
| SCHEMBL6323409 | 0.80 | TAAR1 (0.67) | ESR1ESR2TAAR1ADRA2AADRA2B | |
| SCHEMBL5362554 | 0.79 | TBXAS1 (0.45) | TBXAS1TAAR1LMNATERTALOX15 | |
| SCHEMBL15121693 | 0.79 | TAAR1 (0.65) | TBXAS1TAAR1LMNATERT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912562-A1 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998003505-A2 | HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-01-29 | — | — | WO | disclosed |