Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL8589758 | 0.84 | CYP3A4 (0.44) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL14688874 | 0.75 | MAPK1 (0.43) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL9229680 | 0.75 | MAPK1 (0.43) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL9795262 | 0.74 | CYP3A4 (0.44) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL4154543 | 0.74 | CYP3A4 (0.44) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL240228 | 0.73 | CYP3A4 (0.42) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL10866723 | 0.73 | CYP3A4 (0.37) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL28571018 | 0.71 | TDP1 (0.37) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL1046649 | 0.70 | CYP3A4 (0.56) | CYP3A4TSHRTDP1MAPK1TRPA1 | |
| SCHEMBL9795283 | 0.70 | TDP1 (0.50) | CYP3A4TSHRTDP1MAPK1TRPA1 |
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 |