Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.49 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3383287 | 0.86 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| SCHEMBL3387061 | 0.86 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| Piperazine SCHEMBL28106509 | 0.86 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL29250334 | 0.85 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| SCHEMBL209471 | 0.84 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| SCHEMBL17485679 | 0.84 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| SCHEMBL4903097 | 0.84 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL30163937 | 0.83 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| SCHEMBL3432550 | 0.83 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR | |
| Hydrochloric Acid SCHEMBL27587923 | 0.83 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1SLC6A4ALOX15TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021211990-A1 | LIPID COMPOSITIONS AND METHODS OF PREPARATION THEREOF | WAKE FOREST UNIVERSITY (US) | 2021-10-21 | — | — | WO | disclosed |