Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3688386 | 0.83 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3688385 | 0.83 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL29042805 | 0.82 | CHRNB2 (0.41) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3696868 | 0.81 | BCHE (0.48) | CYP3A4CYP1A2CYP2D6BCHESMN1; SMN2 | |
| SCHEMBL22978800 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3687879 | 0.81 | BCHE (0.48) | CYP3A4CYP1A2CYP2D6BCHESMN1; SMN2 | |
| SCHEMBL3694790 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3756225 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3757483 | 0.80 | CYP3A4 (0.38) | CYP3A4CYP1A2CYP2D6BCHEMAOB | |
| SCHEMBL3694792 | 0.80 | CYP3A4 (0.43) | CYP3A4CYP1A2CYP2D6BCHEMAOB |
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-2021026803-A1 | PIPERIDINYL-METHYL-PURINEAMINES AS NSD2 INHIBITORS AND ANTI-CANCER AGENTS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |