Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2806477 | 0.84 | HPGD (0.46) | ALDH1A1SMN1; SMN2TSHRKDM4EHPGD | |
| SCHEMBL28589368 | 0.80 | NR4A1 (0.59) | ALDH1A1ALOX15SMN1; SMN2TSHRMAPT | |
| SCHEMBL27360130 | 0.79 | NR4A1 (0.57) | ALDH1A1ALOX15SMN1; SMN2TSHRMAPT | |
| SCHEMBL27636041 | 0.77 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2TSHRCA1CA2 | |
| SCHEMBL1728427 | 0.76 | CES1 (0.50) | ALDH1A1ALOX15SMN1; SMN2TSHRCA1 | |
| SCHEMBL6262061 | 0.75 | ESR1 (0.45) | ALDH1A1TSHRMAPTLMNAKDM4E | |
| SCHEMBL28136722 | 0.74 | CES1 (0.48) | ALDH1A1ALOX15SMN1; SMN2TSHRCA1 | |
| Hydrochloric Acid SCHEMBL27590007 | 0.74 | CES1 (0.48) | ALDH1A1ALOX15SMN1; SMN2TSHRCA1 | |
| Fluoride SCHEMBL28016642 | 0.74 | CES1 (0.48) | ALDH1A1ALOX15SMN1; SMN2TSHRCA1 | |
| Phthalic Acid SCHEMBL3700659 | 0.72 | ALDH1A1 (0.78) | ALDH1A1ALOX15SMN1; SMN2TSHRCA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2097486-A2 | TETRA-SULFO IRON-PHTHALOCYANINE AND RELATED METHODS | Dow Global Technologies Inc. (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008079356-A2 | TETRA-SULFO IRON-PHTHALOCYANINE AND RELATED METHODS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2008-07-03 | — | — | WO | disclosed |