Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3131963 | 1.00 | ALDH1A1 (0.57) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL23618758 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL16893596 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL29185026 | 0.80 | FFAR1 (0.55) | ALDH1A1MAPK1FFAR1SMN1; SMN2MAPT | |
| SCHEMBL8873004 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL942119 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL6536310 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| SCHEMBL10911324 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1FFAR1NPC1DRD2 | |
| SCHEMBL12110732 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1MAOAMAOBFFAR1 | |
| Fluoride SCHEMBL1336321 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPK1MAOAMAOBFFAR1 |
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-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |