Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11228055 | 0.82 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL14875499 | 0.82 | TSHR (0.41) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL28633153 | 0.81 | — | — | |
| SCHEMBL28450272 | 0.80 | ACE2 (0.44) | — | |
| SCHEMBL28450271 | 0.80 | ACE2 (0.44) | — | |
| SCHEMBL7525622 | 0.76 | CA1 (0.35) | ALDH1A1 | |
| SCHEMBL16594854 | 0.76 | LMNA (0.40) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL11222121 | 0.74 | — | — | |
| SCHEMBL11229664 | 0.74 | CACNA2D1 (0.34) | ALDH1A1TSHRMAPK1 | |
| SCHEMBL23014036 | 0.71 | TSHR (0.33) | ALDH1A1TSHRMAPK1 |
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-4344891-A | Halogenated tertiary alkyl isocyanates and their preparation | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-17 | — | — | US | disclosed |