Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | APP | P05067 | 4/20 | 0.45 |
| ▸ | SNCA | P37840 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 6/20 | 0.35 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | RARA | P10276 | 5/20 | 0.35 |
| ▸ | RARG | P13631 | 5/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11318823 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL10748262 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL10748261 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL2580014 | 0.79 | RXRA (0.61) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL11412206 | 0.76 | RARB (0.42) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL11331709 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL11330865 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| SCHEMBL11323309 | 0.74 | ALDH1A1 (0.63) | ALDH1A1CYP3A4APPSNCAALOX15 | |
| Bromide SCHEMBL10920161 | 0.69 | RARB (0.38) | ALOX15RARBRXRARARARARG | |
| Bromide SCHEMBL10920163 | 0.69 | RARB (0.38) | ALOX15RARBRXRARARARARG |
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-4272456-A | ALKENYLATION, GRIGNARD REAGENTS, HALOGENATION | BASF AKTIENGESELLSCHAFT (DE) | 1981-06-09 | — | — | US | disclosed |
| US-4233464-A | Cyclohexene carotinoid intermediates | BASF AKTIENGESELLSCHAFT (DE) | 1980-11-11 | — | — | US | disclosed |