Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.66 |
| ▸ | MEN1 | O00255 | 7/20 | 0.66 |
| ▸ | MAPT | P10636 | 6/20 | 0.66 |
| ▸ | LMNA | P02545 | 6/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.61 |
| ▸ | RAB9A | P51151 | 7/20 | 0.61 |
| ▸ | NPC1 | O15118 | 5/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | STAT3 | P40763 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7164014 | 0.85 | KMT2A (0.56) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL3916950 | 0.84 | RAB9A (0.61) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL31395362 | 0.84 | KMT2A (0.54) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL694212 | 0.83 | KMT2A (0.53) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL11700132 | 0.83 | KMT2A (0.67) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL3919430 | 0.82 | GSK3A (0.62) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL4551075 | 0.81 | MEN1 (0.64) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL7411710 | 0.80 | NPC1 (0.60) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL196916 | 0.80 | CA1 (0.64) | KMT2AMEN1MAPTLMNAHPGD | |
| SCHEMBL7789813 | 0.78 | CYP1A2 (0.59) | MAPTLMNAHPGDSMN1; SMN2RAB9A |
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-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |