Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22248678 | 0.90 | USP28 (0.38) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL22249177 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP3A4TSHRKDM1AMAOB | |
| SCHEMBL22248674 | 0.81 | ROCK2 (0.47) | CYP2D6CYP3A4TSHRCYP1A2ROCK2 | |
| SCHEMBL22248651 | 0.80 | ROCK2 (0.46) | ROCK2 | |
| SCHEMBL22249159 | 0.80 | ROCK2 (0.46) | CYP2D6CYP3A4TSHRCYP1A2ROCK2 | |
| SCHEMBL22249119 | 0.80 | KDM1A (0.45) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| Hydrochloric Acid SCHEMBL30276602 | 0.76 | KDM1A (0.40) | CYP2D6CYP3A4TSHRCYP1A2KDM1A | |
| SCHEMBL22249161 | 0.76 | ROCK2 (0.46) | ROCK2 | |
| SCHEMBL22248654 | 0.74 | ROCK2 (0.50) | ROCK2ALDH1A1 | |
| SCHEMBL22248684 | 0.74 | ROCK2 (0.47) | ROCK2KCNH2 |
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-2020150372-A1 | ANTIMICROBIAL COMPOUNDS AND METHODS | CURZA GLOBAL, LLC (US) | 2020-07-23 | — | — | WO | disclosed |