Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11832589 | 0.91 | ALDH1A1 (0.43) | CYP1A2KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL30068941 | 0.82 | TSHR (0.55) | CYP1A2KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5129064 | 0.82 | TSHR (0.55) | CYP1A2KMT2AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29367937 | 0.82 | CYP1A2 (0.51) | CYP1A2ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL260788 | 0.82 | CYP1A2 (0.51) | CYP1A2ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL25287818 | 0.80 | GSK3B (0.45) | CYP1A2KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL38665418 | 0.79 | CYP1A2 (0.46) | CYP1A2ALDH1A1MAPTSMN1; SMN2LMNA | |
| SCHEMBL7342649 | 0.78 | KMT2A (0.52) | CYP1A2KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL16950838 | 0.77 | POLB (0.52) | CYP1A2KMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL31536498 | 0.77 | CA1 (0.43) | CYP1A2KMT2AMEN1ALDH1A1MAPT |
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-2017024009-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. (US) | 2017-02-09 | — | — | WO | disclosed |