Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29709631 | 0.86 | ALDH1A1 (0.37) | ALDH1A1HPGDCYP11B2ASAH1KDM4E | |
| SCHEMBL24792962 | 0.86 | ALDH1A1 (0.37) | ALDH1A1HPGDCYP11B2ASAH1KDM4E | |
| SCHEMBL23123381 | 0.81 | MEN1 (0.45) | ALDH1A1HPGDCYP11B2ASAH1KDM4E | |
| SCHEMBL23123109 | 0.81 | ASAH1 (0.64) | ASAH1 | |
| SCHEMBL23122327 | 0.79 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP11B2ASAH1KDM4E | |
| SCHEMBL23123472 | 0.78 | ASAH1 (0.47) | ALDH1A1HPGDCYP11B2ASAH1KDM4E | |
| SCHEMBL23122239 | 0.78 | NOS1 (0.40) | ALDH1A1KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL24793637 | 0.77 | PKM (0.43) | ALDH1A1HPGDCYP11B2KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL23123134 | 0.76 | PKM (0.42) | ALDH1A1HPGDCYP11B2KDM4EMEN1 | |
| SCHEMBL23123105 | 0.75 | KDM4E (0.37) | ALDH1A1HPGDKDM4EMEN1KMT2A |
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-2021055627-A1 | SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS | BIAL- BIOTECH INVESTMENTS, INC. (US) | 2021-03-25 | — | — | WO | disclosed |