Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 2/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29354953 | 0.81 | LMNA (0.51) | AGBL2PLAUAKR1B1CA2GABRR1 | |
| SCHEMBL940173 | 0.81 | LMNA (0.51) | AGBL2PLAUAKR1B1CA2GABRR1 | |
| SCHEMBL18335081 | 0.80 | LMNA (0.41) | PLAUMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27956188 | 0.79 | AGBL2 (0.44) | AGBL2CYP1A2KMT2AKDM4EALDH1A1 | |
| SCHEMBL1256353 | 0.79 | AGBL2 (0.51) | AGBL2MEN1CYP1A2CYP2C9KMT2A | |
| SCHEMBL16793840 | 0.78 | NPC1 (0.39) | PLAUMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30499537 | 0.78 | DPP4 (0.42) | MEN1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28487392 | 0.77 | AGBL2 (0.63) | AGBL2MEN1CYP1A2CYP2D6KMT2A | |
| SCHEMBL1577363 | 0.77 | PLAU (0.50) | PLAUMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27956182 | 0.76 | AGBL2 (0.45) | AGBL2MEN1CYP1A2CYP3A4CYP2D6 |
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-103906748-A | 2-amino-4-(pyridin-2-yl)-5, 6-dihydro-4H-1, 3-oxazine derivatives and their use as BACE-1 and/or BACE-2 inhibitors | NOVARTIS AG | 2014-07-02 | — | — | CN | disclosed |