Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PRKCQ | Q04759 | 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 | |
|---|---|---|---|---|
| SCHEMBL6822478 | 0.95 | CYP3A4 (0.33) | MAPTCYP3A4CYP2D6NPC1CYP1A2 | |
| SCHEMBL6813930 | 0.86 | SCN9A (0.37) | MAPTCYP3A4CYP2D6NPC1CYP1A2 | |
| SCHEMBL6814158 | 0.85 | ALDH1A1 (0.33) | MAPTCYP3A4CYP2D6NPC1CYP1A2 | |
| SCHEMBL6814612 | 0.84 | BCHE (0.30) | — | |
| SCHEMBL6817813 | 0.82 | PRKCQ (0.39) | MAPTCYP3A4CYP2D6NPC1CYP1A2 | |
| SCHEMBL6817921 | 0.80 | MAPT (0.36) | MAPTNPC1SMN1; SMN2KCNH2MEN1 | |
| SCHEMBL6821721 | 0.80 | NPC1 (0.34) | MAPTNPC1RAB9ASMN1; SMN2KCNH2 | |
| SCHEMBL6814129 | 0.80 | PRKCQ (0.38) | MAPTCYP3A4CYP2D6NPC1CYP1A2 | |
| SCHEMBL6082249 | 0.79 | IDH1 (0.36) | CYP2C19CYP2C9 | |
| SCHEMBL6082255 | 0.79 | IDH1 (0.36) | CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |