Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL476584 | 0.97 | ALDH1A1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10566857 | 0.94 | ALDH1A1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL623374 | 0.94 | ALDH1A1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| Water SCHEMBL9578060 | 0.92 | ALDH1A1 (0.47) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL530011 | 0.91 | ALDH1A1 (0.53) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL31465793 | 0.88 | CA12 (0.46) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9651294 | 0.88 | ALDH1A1 (0.50) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3973874 | 0.88 | CA12 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL12918862 | 0.88 | CA12 (0.56) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL22813038 | 0.86 | ALDH1A1 (0.56) | ALDH1A1TSHRKDM4ESMN1; SMN2DNM1 |
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-1230285-B1 | POLYESTER POWDER COATING COMPOSITIONS BASED ON 1,3-PROPANEDIOL | SHELL INT RESEARCH (NL) | 2006-05-17 | — | — | EP | disclosed |
| US-6441087-B1 | PRODUCED BY REACTING A POLYOL, AND A POLYISOCYANATE CROSSLINKING AGENT, WHEREIN THE POLYOL IS SUBSTITUTED WITH 2-50% BY WEIGHT OF A POLYTRIMETHYLENE CARBONATE DIOL OR TRIOL | SHELL OIL COMPANY | 2002-08-27 | — | — | US | disclosed |
| US-5705548-A | AROMATIC DICYANATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0781821-A2 | Polyester powder coating composition | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |