Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 14/20 | 0.40 |
| ▸ | HTR2B | P41595 | 14/20 | 0.40 |
| ▸ | HTR7 | P34969 | 13/20 | 0.40 |
| ▸ | HTR5A | P47898 | 13/20 | 0.40 |
| ▸ | HTR1D | P28221 | 12/20 | 0.40 |
| ▸ | HTR2A | P28223 | 12/20 | 0.40 |
| ▸ | HTR1B | P28222 | 11/20 | 0.40 |
| ▸ | HTR6 | P50406 | 8/20 | 0.40 |
| ▸ | HTR2C | P28335 | 7/20 | 0.40 |
| ▸ | HTR1E | P28566 | 6/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15637039 | 0.78 | PTPN1 (0.40) | ALDH1A1MAPTSMN1; SMN2HTR2BMEN1 | |
| SCHEMBL13729234 | 0.74 | CSNK2A2 (0.35) | ALDH1A1L3MBTL1HTR2ACSNK2A2CSNK2B | |
| SCHEMBL5584101 | 0.74 | IDO1 (0.32) | CYP2A6 | |
| SCHEMBL13729746 | 0.73 | TAAR1 (0.33) | SMN1; SMN2KDM4E | |
| SCHEMBL456349 | 0.73 | CYP2A6 (0.44) | NPC1ALDH1A1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL27394929 | 0.71 | NPC1 (0.41) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL13730507 | 0.71 | S100A4 (0.36) | LMNAMAPK1HTR2ACSNK2A2CSNK2B | |
| SCHEMBL15679162 | 0.70 | CSNK2A1 (0.49) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4430074 | 0.69 | ALDH1A1 (0.42) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL13730504 | 0.69 | P2RX7 (0.33) | ALDH1A1MAPTSMN1; SMN2L3MBTL1HTR2A |
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-2012146535-A1 | PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES | BASF SE (DE) | 2012-11-01 | — | — | WO | disclosed |