Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5789761 | 0.89 | NPC1 (0.45) | RAB9ANPC1MAOBMAPTALDH1A1 | |
| SCHEMBL5789516 | 0.88 | NPC1 (0.45) | RAB9ANPC1MAOBMAPTMEN1 | |
| SCHEMBL5790301 | 0.88 | NPC1 (0.45) | RAB9ANPC1MAOBMAPTALDH1A1 | |
| SCHEMBL5792560 | 0.87 | NPC1 (0.42) | RAB9ANPC1MAOBMAPTMEN1 | |
| SCHEMBL5790527 | 0.85 | NPC1 (0.42) | RAB9ANPC1MAOBMAPTMEN1 | |
| SCHEMBL6263396 | 0.83 | RAB9A (0.47) | RAB9ANPC1MAOBMAPTALDH1A1 | |
| SCHEMBL5792278 | 0.78 | RAB9A (0.42) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL7256067 | 0.77 | RAB9A (0.41) | RAB9ANPC1MAPTALDH1A1LMNA | |
| SCHEMBL5794764 | 0.73 | NPC1 (0.44) | RAB9ANPC1MAOBMAPTMEN1 | |
| SCHEMBL6243892 | 0.71 | NPC1 (0.48) | RAB9ANPC1MAOBMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1320522-B1 | COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS | TAIHO PHARMACEUTICAL CO LTD (JP) | 2005-11-23 | — | — | EP | disclosed |