Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CNR1 | P21554 | 4/20 | 0.54 |
| ▸ | CNR2 | P34972 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 3/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4877102 | 0.90 | GAA (0.51) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL6917467 | 0.86 | GAA (0.51) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL6915133 | 0.86 | GAA (0.51) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL6913432 | 0.84 | GAA (0.52) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL2119647 | 0.83 | ALOX5 (0.47) | GAATDP1L3MBTL1LMNAMAPT | |
| SCHEMBL28920259 | 0.79 | GAA (0.56) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL13872770 | 0.79 | GAA (0.56) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL17912887 | 0.79 | GAA (0.56) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL8881796 | 0.79 | GAA (0.59) | GAATDP1L3MBTL1CNR1CNR2 | |
| SCHEMBL8377467 | 0.78 | GAA (0.52) | GAATDP1L3MBTL1CNR1CNR2 |
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 |