Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4618206 | 0.80 | — | — | |
| SCHEMBL9639695 | 0.71 | — | — | |
| SCHEMBL9639690 | 0.71 | — | — | |
| SCHEMBL9640786 | 0.70 | MAPK1 (0.41) | MAPK1TP53NFKB1CYP2C19THPO | |
| SCHEMBL9640788 | 0.70 | MAPK1 (0.41) | MAPK1TP53NFKB1CYP2C19THPO | |
| Hydrochloric Acid SCHEMBL9639877 | 0.69 | MAPK1 (0.39) | MAPK1TP53NFKB1CYP2C19THPO | |
| Fluoride SCHEMBL10972490 | 0.69 | MAPK1 (0.39) | MAPK1TP53NFKB1CYP2C19THPO | |
| SCHEMBL11047517 | 0.62 | CYP1A2 (0.33) | CYP2C19 | |
| SCHEMBL5509512 | 0.60 | — | — | |
| SCHEMBL8649051 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856311-A | Derivatives of β-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA SRL (IT) | 1999-01-05 | — | — | US | disclosed |
| WO-1998033765-A1 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-08-06 | — | — | WO | disclosed |
| EP-0843967-A1 | Use of Beta-aminopropionic acid derivatives as fungicides | ISAGRO RICERCA S.r.l. (IT) | 1998-05-27 | — | — | EP | disclosed |
| EP-0718280-A2 | Derivatives of beta-aminopropionic acid with a fungicidal activity | ISAGRO RICERCA S.r.l. (IT) | 1996-06-26 | — | — | EP | disclosed |