Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
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 | 0.86 | ALDH1A1 (0.60) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL9687590 | 0.86 | ALDH1A1 (0.60) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL9686479 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL18622513 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| P-Xylene SCHEMBL9685877 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL873414 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL4198688 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP3A4NPC1RAB9A | |
| SCHEMBL14063397 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MMP12MAOBCYP3A4MMP2 | |
| SCHEMBL9321763 | 0.78 | CHRNA7 (0.39) | ALDH1A1FFAR1NPC1RAB9A | |
| SCHEMBL12518683 | 0.76 | ALDH1A1 (0.60) | ALDH1A1CYP3A4NPC1RAB9A |
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 |