Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19807568 | 1.00 | KCNH2 (0.61) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL22624261 | 1.00 | KCNH2 (0.61) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL18231280 | 1.00 | KCNH2 (0.61) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL18231284 | 1.00 | KCNH2 (0.61) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| Hydrochloric Acid SCHEMBL17969203 | 0.99 | KCNH2 (0.61) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL17018784 | 0.83 | KCNH2 (0.49) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL18902219 | 0.83 | KCNH2 (0.54) | KCNH2CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL17006378 | 0.82 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL19807565 | 0.82 | CYP2C19 (0.39) | KCNH2CYP3A4CYP2C9CYP2C19TNIK | |
| SCHEMBL19807520 | 0.78 | KCNH2 (0.62) | KCNH2CYP3A4CYP2C9CYP2C19TNIK |
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-2020033322-A1 | HEARING LOSS-PROTECTIVE COMPOUNDS AND METHODS THEREOF | FRED HUTCHINSON CANCER RESEARCH CENTER (US) | 2020-02-13 | — | — | WO | disclosed |