Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2143516 | 0.98 | TSHR (0.41) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL977994 | 0.98 | TSHR (0.41) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL21830397 | 0.98 | TSHR (0.41) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL10534318 | 0.98 | TSHR (0.41) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Fluoride SCHEMBL27714590 | 0.96 | CYP3A4 (0.40) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28887351 | 0.96 | CYP3A4 (0.40) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Fluoride SCHEMBL27714588 | 0.96 | CYP3A4 (0.40) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| Methane SCHEMBL17330285 | 0.96 | CYP3A4 (0.40) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL17685497 | 0.96 | TSHR (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 | |
| SCHEMBL7432807 | 0.96 | TSHR (0.43) | CYP3A4TSHRCA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003103832-A2 | OXYGEN REDUCTION CATALYST | UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) | 2003-12-18 | — | — | WO | disclosed |
| US-20030228972-A1 | Using cobalt containing coordination catalyst | UNIVERSITY TECHNOLOGIES INTERNATIONAL, INC. (CA) | 2003-12-11 | — | — | US | disclosed |