Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 14/20 | 0.47 |
| ▸ | CA1 | P00915 | 12/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA6 | P23280 | 3/20 | 0.45 |
| ▸ | CA7 | P43166 | 3/20 | 0.45 |
| ▸ | CA5A | P35218 | 3/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11117613 | 0.84 | ALDH1A1 (0.66) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL3412658 | 0.82 | CA2 (0.47) | ALDH1A1POLBCA2CA1CA9 | |
| SCHEMBL1508924 | 0.81 | ALDH1A1 (0.62) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL29655855 | 0.81 | ALDH1A1 (0.62) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL26116950 | 0.81 | ALDH1A1 (0.67) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL7645545 | 0.79 | ALDH1A1 (0.60) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL7645547 | 0.79 | ALDH1A1 (0.60) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL31618234 | 0.78 | ALDH1A1 (0.58) | ALDH1A1POLBCA2CA1ABCB11 | |
| SCHEMBL6717590 | 0.77 | ALDH1A1 (1.00) | ALDH1A1POLBCA2CA1ABCB11 | |
| Sulfuric Acid SCHEMBL8443293 | 0.75 | ALDH1A1 (0.55) | ALDH1A1POLBCA2CA1ABCB11 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103772348-B | The synthetic method of 2-imines-1,3-oxygen thia cyclopentenes compounds | ANHUI NORMAL UNIVERSITY (CN) | 2016-01-06 | — | — | CN | disclosed |
| EP-1594866-A1 | ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES | PFIZER INC. (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004072070-A1 | ANTIPROLIFERATIVE 2-(SULFO-PHENYL)-AMINOTHIAZOLE DERIVATIVES | PFIZER INC. (US) | 2004-08-26 | — | — | WO | disclosed |
| EP-1056732-A2 | 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999021845-A2 | 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 1999-05-06 | — | — | WO | disclosed |