Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5360275 | 0.85 | ALDH1A1 (0.64) | ALDH1A1KDM4ELMNAMAOBKMT2A | |
| SCHEMBL9684759 | 0.82 | ALDH1A1 (0.46) | ALDH1A1FFAR1MAOBNPC1RAB9A | |
| SCHEMBL13754587 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4ELMNAMAOBKMT2A | |
| SCHEMBL9685963 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KDM4ELMNAMAOBKMT2A | |
| SCHEMBL10263162 | 0.76 | MAOB (0.71) | ALDH1A1FFAR1MAOBMAOA | |
| SCHEMBL6205426 | 0.76 | AOC3 (0.47) | ALDH1A1LMNAHTTTSHRMAPT | |
| SCHEMBL132773 | 0.76 | ALDH1A1 (0.78) | ALDH1A1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL873057 | 0.75 | ALDH1A1 (0.60) | ALDH1A1KDM4ELMNAKMT2ANPC1 | |
| SCHEMBL17253260 | 0.75 | ALDH1A1 (0.47) | ALDH1A1FFAR1NPC1RAB9ASMN1; SMN2 | |
| E1501 SCHEMBL28789175 | 0.74 | ALDH1A1 (0.81) | ALDH1A1KDM4ELMNAKMT2ARAB9A |
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 |