Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24098476 | 0.68 | NOTUM (0.50) | MAPTNOTUMPTGS2CYP1A2CYP2C19 | |
| SCHEMBL21834180 | 0.68 | NOTUM (0.62) | MAPTNOTUMPTGS2CYP1A2CYP2C19 | |
| SCHEMBL10091953 | 0.63 | NOTUM (0.62) | MAPTNOTUMPTGS2CYP1A2CYP2C19 | |
| SCHEMBL25045396 | 0.62 | GABRA5 (0.44) | NOTUMPTGS2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL25045387 | 0.60 | KMT2A (0.56) | MAPTNOTUMPTGS2CYP2C9CA1 | |
| SCHEMBL30237036 | 0.59 | GABRA5 (0.39) | NOTUMPTGS2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL28906183 | 0.59 | ALDH1A1 (0.54) | MAPTNOTUMPTGS2CA1CA2 | |
| SCHEMBL9730309 | 0.57 | PTGS2 (0.45) | PTGS2CYP1A2RAB9ATP53ALDH1A1 | |
| SCHEMBL25044741 | 0.56 | ALDH1A1 (0.49) | MAPTNOTUMCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL25044752 | 0.55 | GABRA5 (0.44) | ALDH1A1KCNH2 |
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-2021228795-A1 | NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM | F. HOFFMANN-LA ROCHE AG (CH) | 2021-11-18 | — | — | WO | disclosed |