Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 3/20 | 0.47 |
| ▸ | MMP2 | P08253 | 3/20 | 0.47 |
| ▸ | MMP9 | P14780 | 3/20 | 0.47 |
| ▸ | MMP8 | P22894 | 3/20 | 0.47 |
| ▸ | MMP13 | P45452 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16914877 | 0.86 | CA1 (0.56) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL13600433 | 0.85 | ALDH1A1 (0.51) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL448648 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL30297581 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL28613032 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL9426521 | 0.81 | GAA (0.54) | ALDH1A1TSHRCA12CA2MMP1 | |
| SCHEMBL9826058 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL31628174 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL270126 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TSHRHPGDCA12CA2 | |
| SCHEMBL64725 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDCA12CA2 |
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 |