Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27518479 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| Hydrochloric Acid SCHEMBL19511476 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL6546883 | 0.84 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL8819851 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL5898461 | 0.83 | SLC15A1 (0.65) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL7713482 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL589203 | 0.83 | SLC15A1 (0.61) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL6566591 | 0.83 | SLC15A1 (0.63) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL589202 | 0.83 | SLC15A1 (0.61) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A | |
| SCHEMBL1264374 | 0.83 | SLC15A1 (0.61) | ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805685-B1 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | MERCK & CO INC (US) | 2001-09-26 | — | — | EP | disclosed |
| US-5854213-A | Antifungal cyclohexapeptides | MERCK & CO., INC. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0805685-A4 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | MERCK & CO INC (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0805685-A1 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | Merck & Co., Inc. (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996022784-A1 | NOVEL ANTIFUNGAL CYCLOHEXAPEPTIDES | MERCK & CO., INC. (US) | 1996-08-01 | — | — | WO | disclosed |