Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8955004 | 0.88 | TDP1 (0.45) | KMT2AMEN1CES2CES1ALDH1A1 | |
| SCHEMBL28603617 | 0.85 | CYP1A2 (0.42) | KMT2AMEN1CES2CES1PPARG | |
| SCHEMBL10465557 | 0.83 | PPARG (0.49) | KMT2AMEN1CES2CES1PPARG | |
| SCHEMBL7585353 | 0.83 | KMT2A (0.50) | KMT2AMEN1CES2CES1NPSR1 | |
| SCHEMBL28701598 | 0.82 | SRD5A2 (0.58) | KMT2AMEN1CES2CES1NPSR1 | |
| SCHEMBL11511122 | 0.81 | KMT2A (0.49) | KMT2AMEN1CES2CES1NPSR1 | |
| SCHEMBL11647490 | 0.80 | MEN1 (0.56) | KMT2AMEN1CES2CES1PPARG | |
| SCHEMBL11863284 | 0.79 | NPSR1 (0.62) | KMT2AMEN1CES2CES1NPSR1 | |
| SCHEMBL28342113 | 0.77 | CYP1A2 (0.42) | KMT2APPARGPPARARAB9AALDH1A1 | |
| SCHEMBL11513308 | 0.77 | SMN1; SMN2 (0.48) | KMT2ACES2CES1NPSR1NPC1 |
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-4147791-A | 1-Substituted-1,2,4-triazole fungicidal compositions and methods for combatting fungi that infect or attack plants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-04-03 | — | — | US | disclosed |
| US-4048318-A | 1-Substituted-1,2,4-triazole fungicides | BAYER AKTIENGESELLSCHAFT (DT) | 1977-09-13 | — | — | US | disclosed |