Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29951459 | 0.88 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL29956698 | 0.83 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2559995 | 0.83 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL29955622 | 0.82 | TACR2 (0.55) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL29957022 | 0.80 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL29952934 | 0.79 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2560249 | 0.79 | KDM4E (0.39) | ALDH1A1SMN1; SMN2MAPTHPGDMEN1 | |
| SCHEMBL2557453 | 0.78 | RAB9A (0.41) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL15330601 | 0.78 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL29953910 | 0.77 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPTRAB9AHPGD |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |