Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 6/20 | 0.33 |
| ▸ | GABRD | O14764 | 6/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 6/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 6/20 | 0.33 |
| ▸ | GABRE | P78334 | 6/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6861810 | 0.95 | CA1 (0.42) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL6862847 | 0.94 | ALDH1A1 (0.38) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL6856471 | 0.94 | ALDH1A1 (0.42) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL7041104 | 0.93 | ALDH1A1 (0.39) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL6860789 | 0.93 | GAA (0.39) | ALDH1A1CA1CA2TSHRKMT2A | |
| SCHEMBL6861219 | 0.92 | ALDH1A1 (0.36) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL6860962 | 0.92 | ALDH1A1 (0.36) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL5209184 | 0.91 | ALDH1A1 (0.38) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL5209148 | 0.90 | ALDH1A1 (0.38) | ALDH1A1CA1CA2TSHRCYP3A4 | |
| SCHEMBL6862967 | 0.89 | MMP2 (0.40) | ALDH1A1KMT2AATMHTTPOLB |
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-1388540-B1 | ACRYLIC ESTERS AND USE THEREOF | MITSUI CHEMICALS INC (JP) | 2007-09-05 | — | — | EP | disclosed |
| US-6835844-B2 | Acrylic esters and use thereof | MITSUI CHEMICALS, INC. (JP) | 2004-12-28 | — | — | US | disclosed |
| EP-1388540-A1 | ACRYLIC ESTERS AND USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2004-02-11 | — | — | EP | disclosed |