Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23475244 | 0.86 | ALDH1A1 (0.77) | ALDH1A1HPGDUSP2OPRK1KMT2A | |
| SCHEMBL4756059 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDKMT2AL3MBTL1CYP2D6 | |
| SCHEMBL4308211 | 0.80 | KMT2A (0.65) | ALDH1A1HPGDUSP2KMT2AL3MBTL1 | |
| SCHEMBL2612623 | 0.79 | ALDH1A1 (0.66) | ALDH1A1HPGDUSP2KMT2AMEN1 | |
| SCHEMBL22582593 | 0.75 | LMNA (0.74) | ALDH1A1USP2OPRK1KMT2AL3MBTL1 | |
| SCHEMBL22582588 | 0.75 | LMNA (0.74) | ALDH1A1USP2OPRK1KMT2AL3MBTL1 | |
| SCHEMBL22582589 | 0.75 | LMNA (0.74) | ALDH1A1USP2OPRK1KMT2AL3MBTL1 | |
| SCHEMBL12479774 | 0.75 | LMNA (0.74) | ALDH1A1USP2OPRK1KMT2AL3MBTL1 | |
| SCHEMBL2886274 | 0.74 | — | — | |
| SCHEMBL21739053 | 0.72 | KMT2A (0.57) | ALDH1A1KMT2AL3MBTL1GAA |
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-2008019363-A2 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |