Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8221577 | 0.90 | TP53 (0.38) | LMNAMAPK1MAPTSMN1; SMN2IDO1 | |
| SCHEMBL13608161 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL4254506 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL4257569 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL8220918 | 0.77 | OPRL1 (0.35) | ALDH1A1NPBWR1HPGDKMT2AMEN1 | |
| SCHEMBL4257924 | 0.76 | HTT (0.41) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL13619190 | 0.73 | KMT2A (0.39) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL13619403 | 0.73 | PTGDR2 (0.38) | MAPTSMN1; SMN2IDO1TDO2RXFP1 | |
| SCHEMBL4256061 | 0.72 | NPSR1 (0.38) | ALDH1A1HTTNPSR1LMNACYP1A2 | |
| SCHEMBL13619963 | 0.72 | NPBWR1 (0.42) | ALDH1A1NPSR1LMNACYP1A2CYP3A4 |
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-2008016239-A1 | CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD | LG LIFE SCIENCES LTD. (KR) | 2008-02-07 | — | — | WO | disclosed |