Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 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 | |
|---|---|---|---|---|
| SCHEMBL10618530 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11063061 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL5420729 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11062914 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL5246659 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11059361 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL9714485 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRTP53MIF | |
| SCHEMBL11062438 | 0.98 | ALDH1A1 (0.43) | ALDH1A1TSHRTP53 | |
| SCHEMBL9459858 | 0.91 | — | — | |
| SCHEMBL466441 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4448816-A | N-ISOCYANTOALKANOYL SUBSTITUTED CYCLIC UREAS USED IN POLYURETHANE COATINGS | THE UPJOHN COMPANY (US) | 1984-05-15 | — | — | US | disclosed |
| US-4009152-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |