Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9867970 | 0.76 | SMN1; SMN2 (0.56) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL8722416 | 0.75 | GAA (0.36) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9672301 | 0.73 | SMN1; SMN2 (0.74) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL26416650 | 0.70 | CYP1A2 (0.70) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL4682271 | 0.70 | SMN1; SMN2 (0.55) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL24162675 | 0.69 | CYP1A2 (0.73) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL3637019 | 0.69 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9673792 | 0.69 | SMN1; SMN2 (0.76) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9674925 | 0.69 | SMN1; SMN2 (0.56) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL9673128 | 0.68 | SMN1; SMN2 (0.74) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0690846-B1 | HERBICIDAL HETEROCYCLIC-SUBSTITUTED PYRIDINES | SHELL INT RESEARCH (NL) | 1998-01-07 | — | — | EP | claimed |
| EP-0690846-B1 | HERBICIDAL HETEROCYCLIC-SUBSTITUTED PYRIDINES | SHELL INT RESEARCH (NL) | 1998-01-07 | — | — | EP | disclosed |