Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795434 | 0.88 | CYP3A4 (0.50) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| SCHEMBL348805 | 0.82 | ALDH1A1 (0.52) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| SCHEMBL29644492 | 0.82 | ALDH1A1 (0.52) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| SCHEMBL9795601 | 0.80 | ALDH1A1 (0.43) | ALDH1A1POLBCYP3A4TDP1ABCB11 | |
| Phenylisothiocyanate SCHEMBL9795217 | 0.76 | MIF (0.63) | ALDH1A1POLBCYP3A4TDP1ABCB11 | |
| SCHEMBL29541215 | 0.74 | CYP3A4 (0.64) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| SCHEMBL93287 | 0.74 | CYP3A4 (0.64) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| Isothiocyanate SCHEMBL28957747 | 0.74 | CYP3A4 (0.53) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| Ammonia Solution, Strong SCHEMBL28143069 | 0.73 | CYP3A4 (0.61) | ALDH1A1POLBLMNACYP3A4TDP1 | |
| SCHEMBL8592479 | 0.73 | ALDH1A1 (0.43) | ALDH1A1POLBLMNACYP3A4TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5045226-A | Reaction product of tin compound with sulfonyl isocyanate, storage stability, polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-03 | — | — | US | disclosed |