Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694927 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL16781693 | 0.86 | ALDH1A1 (0.56) | ALDH1A1CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL19951705 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL30098251 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CA1CA2CA12CA9 | |
| Hydrochloric Acid SCHEMBL14119652 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL352795 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL15499832 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL353942 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL811522 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL20377072 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CA1CA2CA12CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012130912-A1 | COMPOUNDS FOR TREATMENT OF METABOLIC SYNDROME | SJT MOLECULAR RESEARCH, S.L. (ES) | 2012-10-04 | — | — | WO | disclosed |
| CN-1098842-C | Organic second nonlinear optic response chromophore compound | CHINESE ACAD INST CHEMISTRY (CN) | 2003-01-15 | — | — | CN | disclosed |
| EP-1194809-A1 | ELECTRO-OPTICAL DEVICE AND VARIABLE TRANSPARENT ARTICLE WITH SUCH DEVICE | PPG Industries Ohio, Inc. (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000077559-A1 | ELECTRO-OPTICAL DEVICE AND VARIABLE TRANSPARENT ARTICLE WITH SUCH DEVICE | PPG INDUSTRIES OHIO, INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| CN-1218804-A | Organic second nonlinear optic response chromophore compound | CHINESE ACAD INST CHEMISTRY (CN) | 1999-06-09 | — | — | CN | disclosed |
| EP-0279016-A2 | Powdered hair dye | HOYU CO., LTD. (JP) | 1988-08-24 | — | — | EP | disclosed |