Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10890576 | 1.00 | ALDH1A1 (0.33) | ALDH1A1TDP1POLB | |
| Methane SCHEMBL27630051 | 0.66 | POLB (0.46) | ALDH1A1TDP1POLB | |
| SCHEMBL10445782 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL28389094 | 0.64 | — | — | |
| SCHEMBL9248771 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL24531918 | 0.61 | ALDH1A1 (0.36) | ALDH1A1TDP1POLB | |
| SCHEMBL11671774 | 0.61 | SHBG (0.30) | — | |
| SCHEMBL19387332 | 0.61 | TSHR (0.53) | ALDH1A1 | |
| SCHEMBL12577380 | 0.61 | TSHR (0.53) | ALDH1A1 | |
| SCHEMBL20621480 | 0.61 | — | — |
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-4585594-A | CARBONYLATION OF ALLYL ALCOHOL DERIVATIVE | BASF AKTIENGESELLSCHAFT (DE) | 1986-04-29 | — | — | US | disclosed |