Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RRM1 | P23921 | 1/20 | 0.52 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.45 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.45 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5489335 | 1.00 | RRM1 (0.52) | RRM1TNNI3TNNT2TNNC1ALDH1A1 | |
| SCHEMBL5483841 | 0.92 | ALDH1A1 (0.49) | RRM1TNNI3TNNT2TNNC1ALDH1A1 | |
| SCHEMBL5483840 | 0.92 | ALDH1A1 (0.49) | RRM1TNNI3TNNT2TNNC1ALDH1A1 | |
| SCHEMBL5483847 | 0.87 | HPGD (0.56) | RRM1TNNI3TNNT2TNNC1ALDH1A1 | |
| SCHEMBL5483846 | 0.87 | HPGD (0.56) | RRM1TNNI3TNNT2TNNC1ALDH1A1 | |
| SCHEMBL6375082 | 0.84 | MAPT (0.42) | ALDH1A1HTTKMT2AMEN1MAPT | |
| SCHEMBL5880011 | 0.84 | MAPT (0.42) | ALDH1A1HTTKMT2AMEN1MAPT | |
| SCHEMBL3931139 | 0.74 | F2 (0.51) | RRM1ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL3929913 | 0.74 | F2 (0.51) | RRM1ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL1200410 | 0.72 | ALDH1A1 (0.69) | ALDH1A1HTTKMT2AMEN1MAPT |
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 |