Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3150437 | 0.82 | KMT2A (0.34) | ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL2078311 | 0.80 | SMN1; SMN2 (0.39) | ALDH1A1MAPTKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL5162827 | 0.79 | NPC1 (0.39) | ALDH1A1MAPTKMT2ASMN1; SMN2NPC1 | |
| SCHEMBL11501188 | 0.79 | PPARG (0.44) | ALDH1A1L3MBTL1LMNA | |
| SCHEMBL4307277 | 0.77 | — | — | |
| SCHEMBL20588923 | 0.77 | — | — | |
| SCHEMBL12094843 | 0.76 | — | — | |
| SCHEMBL21835593 | 0.76 | MLYCD (0.38) | KMT2ARAB9AMAPK1MEN1MLYCD | |
| SCHEMBL8000172 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MAPTL3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL28297724 | 0.74 | CNR2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007009682-A1 | ORAL PHARMACEUTICAL FORMULATIONS COMPRISING SUBSTITUTED PYRAZOLINE COMPOUNDS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |