Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | FADS1 | O60427 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20096735 | 0.80 | GAA (0.53) | KDM4EMEN1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL20096724 | 0.78 | HDAC6 (0.61) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL29624714 | 0.78 | HDAC6 (0.61) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL3949035 | 0.78 | NPC1 (0.71) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL20096734 | 0.77 | ROCK1 (0.52) | KDM4EMAPTMEN1LMNAKMT2A | |
| SCHEMBL3950826 | 0.77 | KDM4E (0.59) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL2624597 | 0.75 | SMN1; SMN2 (0.58) | KDM4EALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL221120 | 0.73 | KDR (0.48) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL3957092 | 0.72 | NPC1 (0.54) | KDM4EALDH1A1MAPTMEN1LMNA | |
| SCHEMBL14867041 | 0.72 | KDM4E (0.54) | KDM4EALDH1A1MAPTMEN1LMNA |
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-2009029617-A1 | DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |