Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.77 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.77 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.77 |
| ▸ | TACR2 | P21452 | 2/20 | 0.77 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.77 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.77 |
| ▸ | LMNA | P02545 | 1/20 | 0.77 |
| ▸ | SHBG | P04278 | 1/20 | 0.77 |
| ▸ | TP53 | P04637 | 1/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.77 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.77 |
| ▸ | HTR2C | P28335 | 1/20 | 0.77 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.77 |
| ▸ | TST | Q16762 | 1/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL253453 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL2777921 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL4631265 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL9166790 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL1447579 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL8398450 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL7784766 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL9165397 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL5684044 | 1.00 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 | |
| SCHEMBL449737 | 0.97 | ESR1 (0.77) | ESR1ADRA2ASLC6A2ADORA3TACR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457334-B1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO LTD (JP) | 1994-08-10 | — | — | EP | disclosed |
| US-5258542-A | Carbonates of acetylenic alcohols | NIPPON PAINT CO., LTD. (JP) | 1993-11-02 | — | — | US | disclosed |
| US-5194653-A | Useful in making heat resistant liquid crystalline polymers | NIPPON PAINT COMPANY, LIMITED (JP) | 1993-03-16 | — | — | US | disclosed |
| EP-0457334-A1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO., LTD. (JP) | 1991-11-21 | — | — | EP | disclosed |