Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505854 | 1.00 | ALK (0.49) | ALKKDM4EMAPK1NPSR1NFE2L2 | |
| SCHEMBL3278346 | 0.80 | KDM4E (0.39) | KDM4EMAPK1NPSR1CYP1A1CYP1A2 | |
| SCHEMBL3375976 | 0.80 | CCR1 (0.49) | KDM4EMAPK1NPSR1CYP1A1CYP1A2 | |
| SCHEMBL3375911 | 0.74 | KDM4E (0.44) | KDM4EMAPK1NPSR1CYP1A2ALDH1A1 | |
| SCHEMBL3375908 | 0.74 | KDM4E (0.44) | KDM4EMAPK1NPSR1CYP1A2ALDH1A1 | |
| SCHEMBL11545718 | 0.72 | MAOB (0.43) | ALKKDM4EMAPK1NPSR1NFE2L2 | |
| SCHEMBL11545174 | 0.72 | MAOB (0.43) | ALKKDM4EMAPK1NPSR1NFE2L2 | |
| SCHEMBL18544288 | 0.72 | CCR1 (0.38) | KDM4ECYP1A1CYP1A2CYP1B1MEN1 | |
| SCHEMBL4279169 | 0.72 | NOS3 (0.43) | KDM4ECYP1A1CYP1A2CYP1B1CYP3A4 | |
| SCHEMBL3375901 | 0.72 | CCR1 (0.38) | KDM4ECYP1A1CYP1A2CYP1B1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |