Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.56 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL19730732 | 0.86 | ALDH1A1 (0.53) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL3686701 | 0.85 | MAPT (0.71) | ALDH1A1HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL6926436 | 0.82 | MAPT (0.62) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL4701157 | 0.82 | MAPT (0.59) | ALDH1A1MAPTKMT2AMEN1LMNA | |
| SCHEMBL15936238 | 0.81 | HTR1A (0.63) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL17560070 | 0.81 | ALDH1A1 (0.61) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL15088145 | 0.81 | KMT2A (0.55) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL4342277 | 0.80 | MAOA (0.48) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL23748560 | 0.78 | CCNB2 (0.52) | ALDH1A1POLBHTR1AADRA1DADRA1A | |
| SCHEMBL22784072 | 0.78 | ABCB1 (0.60) | ALDH1A1HTR1AADRA1DADRA1AADRA1B |
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-1845083-A2 | New arylsulfonohydrazide inhibitors of enzymes MurC and MurD | UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) | 2007-10-17 | — | — | EP | disclosed |