Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 3/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686517 | 1.00 | ALDH1A1 (0.60) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| SCHEMBL873414 | 0.94 | ALDH1A1 (0.67) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| P-Xylene SCHEMBL9685877 | 0.94 | ALDH1A1 (0.67) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| SCHEMBL4198688 | 0.92 | ALDH1A1 (0.69) | ALDH1A1CYP3A4NPC1RAB9ANAAA | |
| SCHEMBL14063397 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| SCHEMBL713413 | 0.86 | ALDH1A1 (0.62) | ALDH1A1CYP3A4NPC1RAB9ALMNA | |
| SCHEMBL9684759 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| SCHEMBL132773 | 0.85 | ALDH1A1 (0.78) | ALDH1A1CYP3A4LMNACA2 | |
| SCHEMBL9685963 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAOBCYP3A4MMP12MMP2 | |
| SCHEMBL14230576 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAOBCYP3A4MMP12MMP2 |
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-5078838-A | By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol | BASF AKTIENGESELLSCHAFT (DE) | 1992-01-07 | — | — | US | disclosed |