Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.57 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16672351 | 0.87 | ALDH1A1 (0.56) | PTGS2CREBBPGAAALDH1A1MAPT | |
| SCHEMBL16672357 | 0.87 | PTGS2 (0.64) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL20726634 | 0.83 | GAA (0.56) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL16672422 | 0.83 | TRPV1 (0.46) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL16672327 | 0.83 | CREBBP (0.44) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL20726654 | 0.82 | PTGS2 (0.54) | PTGS2GAAALDH1A1NPC1RAB9A | |
| SCHEMBL20726674 | 0.81 | CREBBP (0.45) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL16672352 | 0.81 | MAP2K2 (0.48) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL16672326 | 0.81 | MAPT (0.47) | PTGS2CREBBPGAAALDH1A1NPC1 | |
| SCHEMBL16672412 | 0.80 | CREBBP (0.49) | CREBBPGAAALDH1A1MAPTSMN1; SMN2 |
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-3060549-B1 | NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE | DAE WOONG PHARMA (KR) | 2019-02-13 | — | — | EP | disclosed |