Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 6/20 | 0.61 |
| ▸ | MAOB | P27338 | 6/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL166370 | 1.00 | MEN1 (0.67) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL83796 | 0.89 | MEN1 (0.80) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL27352810 | 0.87 | MEN1 (0.77) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL28299041 | 0.81 | SMN1; SMN2 (0.52) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL7779170 | 0.80 | MEN1 (0.67) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL22894334 | 0.80 | MEN1 (0.67) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL28101079 | 0.80 | MAOA (0.61) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL8746056 | 0.80 | MAOA (0.61) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL5372112 | 0.80 | ALDH1A1 (0.67) | MEN1KMT2ARAB9AALDH1A1NPC1 | |
| SCHEMBL10657873 | 0.80 | MEN1 (0.67) | MEN1KMT2ARAB9AALDH1A1NPC1 |
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 |