Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | OGA | O60502 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24569694 | 1.00 | CTSD (0.40) | CTSDLMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7013304 | 0.80 | ALDH1A1 (0.43) | SLC6A2SLC6A3CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL18280747 | 0.74 | CTSD (0.47) | CTSDSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL15357369 | 0.74 | CTSD (0.47) | CTSDSLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL7323988 | 0.74 | IDO1 (0.46) | SLC6A2SLC6A3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24570019 | 0.72 | HTT (0.36) | LMNASLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL25412141 | 0.71 | — | — | |
| SCHEMBL25412145 | 0.71 | — | — | |
| SCHEMBL25412146 | 0.71 | — | — | |
| SCHEMBL14299552 | 0.71 | CTSK (0.46) | — |
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-2022136366-A1 | NOVEL METHOD FOR SYNTHESIZING NCA COMPOUNDS | ECOLE NATIONALE SUPERIEURE DE CHIMIE DE MONTPELLIER (ENSCM) (FR) | 2022-06-30 | — | — | WO | disclosed |