Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 13/20 | 0.36 |
| ▸ | RXRG | P48443 | 8/20 | 0.36 |
| ▸ | RXRB | P28702 | 7/20 | 0.36 |
| ▸ | RARG | P13631 | 5/20 | 0.32 |
| ▸ | RARA | P10276 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 5/20 | 0.32 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL11808077 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNACYP3A4TDP1RXRA | |
| SCHEMBL11858660 | 0.91 | ALDH1A1 (0.53) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11858666 | 0.91 | ALDH1A1 (0.53) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11853922 | 0.90 | ALDH1A1 (0.58) | ALDH1A1LMNACYP3A4TDP1RXRA | |
| SCHEMBL11853930 | 0.90 | ALDH1A1 (0.58) | ALDH1A1LMNACYP3A4TDP1RXRA | |
| SCHEMBL11862892 | 0.89 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11862896 | 0.89 | ALDH1A1 (0.51) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11858098 | 0.88 | ALDH1A1 (0.59) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11873272 | 0.88 | ALDH1A1 (0.56) | ALDH1A1LMNACYP3A4TDP1 | |
| SCHEMBL11858104 | 0.88 | ALDH1A1 (0.59) | ALDH1A1LMNACYP3A4TDP1 |
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-3978100-A | Allenic esters, process for preparation thereof and process for rearrangement thereof | KURARAY CO., LTD. (JA) | 1976-08-31 | — | — | US | disclosed |