Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | LIG1 | P18858 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL1878862 | 0.94 | HTR3A (0.42) | HTR3APOLBSLC18A3MEN1KMT2A | |
| SCHEMBL2872986 | 0.82 | HTR3A (0.42) | HTR3APOLBSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL777679 | 0.79 | ATM (0.39) | MEN1KMT2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29097668 | 0.79 | SLC18A3 (0.38) | POLBSLC18A3MEN1KMT2ALMNA | |
| SCHEMBL2157992 | 0.78 | ALDH1A1 (0.41) | SLC18A3MEN1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL777693 | 0.78 | ALDH1A1 (0.41) | SLC18A3MEN1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL2160450 | 0.78 | ALDH1A1 (0.41) | SLC18A3MEN1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL11484818 | 0.77 | SLC18A3 (0.40) | SLC18A3MEN1KMT2ANPSR1 | |
| SCHEMBL17090740 | 0.76 | KMT2A (0.33) | SLC18A3KMT2ALMNA | |
| SCHEMBL3148762 | 0.76 | ESR2 (0.38) | KMT2ACYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104662021-A | Novel bicyclic pyridinones | PFIZER | 2015-05-27 | — | — | CN | disclosed |