Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL17804152 | 0.73 | GRM5 (0.34) | GRM5GRM3 | |
| SCHEMBL23980136 | 0.73 | POLB (0.52) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL20400169 | 0.72 | — | — | |
| SCHEMBL20939181 | 0.72 | GRM5 (0.33) | ALDH1A1CYP1A2CYP2C19GRM5SMN1; SMN2 | |
| SCHEMBL22290399 | 0.70 | GRM5 (0.32) | ALDH1A1CYP1A2CYP2C19GRM5SMN1; SMN2 | |
| SCHEMBL22306650 | 0.70 | GRM5 (0.32) | ALDH1A1CYP1A2CYP2C19GRM5SMN1; SMN2 | |
| SCHEMBL25230242 | 0.70 | MAP3K14 (0.36) | ALDH1A1CYP1A2CYP2C19GRM5SMN1; SMN2 | |
| SCHEMBL23980134 | 0.69 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL20744298 | 0.69 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL28396680 | 0.69 | NLRP3 (0.39) | POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-115715287-A | Substituted N- (methyl-d 3) pyridazine-3-carboxamide or N- (methyl-d 3) -nicotinamide compounds as IL-12, IL-23 and/or IFN alpha modulators | 百时美施贵宝公司 | 2023-02-24 | — | — | CN | disclosed |