Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20704671 | 0.77 | CYP2A6 (0.57) | CYP2A6LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL17508118 | 0.75 | MAOA (0.41) | CYP2A6LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2558050 | 0.75 | LPL (0.46) | LMNASMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL15795270 | 0.72 | CYP2A6 (0.39) | CYP2A6LMNAALDH1A1HPGDMAPT | |
| SCHEMBL7691152 | 0.71 | LMNA (0.47) | LMNASMN1; SMN2CYP1A2CYP2C9HTT | |
| P-Xylene SCHEMBL7180224 | 0.70 | CYP2A6 (0.70) | CYP2A6LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL20171522 | 0.69 | LMNA (0.45) | LMNASMN1; SMN2ALDH1A1HPGDRAB9A | |
| SCHEMBL20546774 | 0.69 | CYP2A6 (0.76) | CYP2A6LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9515924 | 0.69 | LMNA (0.45) | LMNASMN1; SMN2ALDH1A1HPGDRAB9A | |
| SCHEMBL10680644 | 0.69 | RAB9A (0.53) | SMN1; SMN2ALDH1A1HTTRAB9ANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |