Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1151915 | 0.83 | KCNH2 (0.59) | KCNH2TSHRBACE1CHRNA7HDAC6 | |
| SCHEMBL9698375 | 0.82 | KCNH2 (0.66) | KCNH2TSHRCHRNA7HDAC6KCNN3 | |
| SCHEMBL11266594 | 0.80 | KCNH2 (0.80) | KCNH2TSHRCHRNA7GAAJAK1 | |
| SCHEMBL7416758 | 0.79 | KCNH2 (0.65) | KCNH2TSHRHDAC6KCNN3JAK1 | |
| SCHEMBL10508648 | 0.79 | KCNH2 (0.55) | KCNH2TSHRBACE1CHRNA7KDM4E | |
| SCHEMBL8562586 | 0.78 | KCNH2 (0.65) | KCNH2TSHRCHRNA7 | |
| Water SCHEMBL8562628 | 0.77 | KCNH2 (0.61) | KCNH2HDAC6KCNN3 | |
| Water SCHEMBL8566156 | 0.77 | KCNH2 (0.61) | KCNH2HDAC6KCNN3 | |
| SCHEMBL8560605 | 0.77 | KCNH2 (0.61) | KCNH2HDAC6KCNN3 | |
| SCHEMBL3748349 | 0.77 | KCNH2 (0.63) | KCNH2BACE1KDM4EGAAJAK1 |
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-4634704-A | HISTAMINE AND SEROTONINE ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-01-06 | — | — | US | disclosed |