Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5511359 | 0.76 | CYP2C9 (0.43) | KMT2AALDH1A1MEN1HTR6MAPT | |
| SCHEMBL6508976 | 0.72 | KMT2A (0.67) | KMT2AROCK2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30685736 | 0.70 | POLB (0.64) | KMT2AALDH1A1SMN1; SMN2NPC1HPGD | |
| SCHEMBL31227621 | 0.70 | KMT2A (0.60) | KMT2AROCK2ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL306802 | 0.69 | ROCK2 (0.61) | KMT2AROCK2ALDH1A1SMN1; SMN2PKN2 | |
| SCHEMBL5511934 | 0.68 | ROCK2 (0.46) | KMT2AROCK2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL31227953 | 0.67 | P2RX7 (0.56) | KMT2AROCK2NPC1RAB9AMEN1 | |
| SCHEMBL31227757 | 0.67 | P2RX7 (0.56) | KMT2AROCK2ALDH1A1NPC1HPGD | |
| SCHEMBL306941 | 0.67 | ROCK2 (0.73) | KMT2AROCK2PKN2CYP3A4CYP2C19 | |
| SCHEMBL7567808 | 0.65 | KMT2A (0.60) | KMT2AROCK2CHRNB2CHRNB4CHRNA3 |
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 |