Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12678959 | 0.82 | ALDH1A1 (0.35) | RAB9ANPC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL10526514 | 0.78 | CYP2A6 (0.39) | RAB9ANPC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL8501836 | 0.77 | ALDH1A1 (0.35) | RAB9ANPC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL12888041 | 0.77 | CYP1A2 (0.35) | RAB9ANPC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL985929 | 0.76 | TDP1 (0.42) | RAB9ANPC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL29953658 | 0.76 | TDP1 (0.42) | RAB9ANPC1KMT2AMEN1ALDH1A1 | |
| SCHEMBL29954159 | 0.76 | ALOX15 (0.42) | KMT2AL3MBTL1MEN1HSP90AA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8501242 | 0.76 | RAB9A (0.35) | RAB9ANPC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL12427234 | 0.74 | TP53 (0.35) | RAB9ANPC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL12887731 | 0.73 | CYP1A2 (0.35) | KMT2AL3MBTL1MEN1ALDH1A1CYP1A2 |
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 |