Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL719299 | 0.92 | ALDH1A1 (0.54) | ALDH1A1TSHRTDP1 | |
| SCHEMBL1117609 | 0.85 | ALDH1A1 (0.62) | ALDH1A1 | |
| Formaldehyde SCHEMBL7212866 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| SCHEMBL1117671 | 0.82 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL1117646 | 0.82 | ALDH1A1 (0.58) | ALDH1A1 | |
| SCHEMBL1170561 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1HPGDHIF1A | |
| SCHEMBL1151359 | 0.80 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL11853128 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1 | |
| SCHEMBL1117322 | 0.78 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL1117382 | 0.78 | ALDH1A1 (0.46) | ALDH1A1 |
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-3953488-A | Method for preparing aliphatic and cycloaliphatic isothiocyanates | OLIN CORPORATION (US) | 1976-04-27 | — | — | US | disclosed |