Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL31142998 | 0.79 | IDO1 (0.38) | ALDH1A1MEN1KMT2AHTTMAPK1 | |
| SCHEMBL6573590 | 0.79 | IDO1 (0.38) | ALDH1A1MEN1KMT2AHTTMAPK1 | |
| SCHEMBL8937863 | 0.78 | IDO1 (0.37) | ALDH1A1MEN1KMT2AHTTMAPK1 | |
| SCHEMBL9353042 | 0.72 | KCNH2 (0.39) | ALDH1A1HTTATMPNMTIDO1 | |
| SCHEMBL29487999 | 0.69 | IDO1 (0.42) | ALDH1A1MEN1KMT2AHTTMAPK1 | |
| SCHEMBL8021114 | 0.69 | IDO1 (0.38) | ALDH1A1HTTATMPNMTIDO1 | |
| SCHEMBL29290780 | 0.68 | IDO1 (0.41) | ALDH1A1MEN1KMT2AHTTATM | |
| SCHEMBL27480359 | 0.66 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AMAPK1PNMT | |
| SCHEMBL4790267 | 0.66 | PNMT (0.47) | ALDH1A1MEN1KMT2AMAPK1PNMT | |
| SCHEMBL1824822 | 0.65 | MAOA (0.52) | HTTPNMTIDO1TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162355-A | FUNGICIDAL 1,2,4-TRIAZOLYL-PROPANOLS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| EP-0444276-A2 | 1,2,4-Triazolyl-propanol derivatives | BAYER AG (DE) | 1991-09-04 | — | — | EP | disclosed |