Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | TACR2 | P21452 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SHBG | P04278 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839732 | 0.86 | CYSLTR2 (0.51) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL9379104 | 0.84 | ALDH1A1 (0.51) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL15261348 | 0.80 | CYSLTR2 (0.46) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL903613 | 0.80 | S1PR1 (0.55) | ALDH1A1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL6839675 | 0.80 | ALDH1A1 (0.50) | CYSLTR2CYSLTR1ALDH1A1KDM4ELMNA | |
| SCHEMBL9378565 | 0.79 | S1PR2 (0.47) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL8754780 | 0.79 | CYSLTR2 (0.48) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL9653719 | 0.79 | RARB (0.63) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL28154533 | 0.78 | ESR1 (0.64) | CYSLTR2CYSLTR1ALDH1A1ESR1ADRA2A | |
| SCHEMBL28526656 | 0.78 | ALDH1A1 (0.49) | CYSLTR2CYSLTR1ALDH1A1HSD17B10PTGS2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376197-B1 | Sulfur-containing heterocyclic compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1994-10-12 | — | — | EP | disclosed |
| US-5071841-A | For prevention of bone reabsorption | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-12-10 | — | — | US | disclosed |
| EP-0376197-A1 | Sulfur-containing heterocyclic compounds | Takeda Chemical Industries, Ltd. (JP) | 1990-07-04 | — | — | EP | disclosed |