Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20035032 | 0.83 | CYP2C19 (0.35) | CYP2C19KDM4EHTTLMNA | |
| SCHEMBL19698164 | 0.83 | CYP2D6 (0.37) | CYP2D6KCNH2HRH3RAB9AGFER | |
| SCHEMBL19698159 | 0.81 | CYP2D6 (0.38) | CYP2D6KCNH2HRH3RAB9AGFER | |
| SCHEMBL19698112 | 0.81 | NPC1 (0.43) | CYP2D6KCNH2HRH3RAB9AEPHX2 | |
| SCHEMBL19698575 | 0.74 | NPC1 (0.39) | CYP2D6KCNH2HRH3RAB9AEPHX2 | |
| SCHEMBL17471820 | 0.73 | CYP2C19 (0.50) | CYP2D6KCNH2HRH3CYP2C19EPHX2 | |
| SCHEMBL18510169 | 0.73 | KDM4E (0.35) | KDM4EHTTPSMB8LMNASMN1; SMN2 | |
| SCHEMBL21081927 | 0.73 | KDM4E (0.35) | KDM4EHTTPSMB8LMNASMN1; SMN2 | |
| SCHEMBL18510168 | 0.73 | KDM4E (0.35) | KDM4EHTTPSMB8LMNASMN1; SMN2 | |
| SCHEMBL3122796 | 0.73 | ALDH1A1 (0.44) | CYP2D6GFERCYP2C19KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9938323-B2 | Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase | NOVARTIS AG (CH) | 2018-04-10 | — | — | US | disclosed |