Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1381941 | 0.91 | PKM (0.54) | ALDH1A1PKMTSHRGFERHCRTR1 | |
| SCHEMBL1386085 | 0.84 | MAPK1 (0.51) | ALDH1A1PKMTSHRGFERHCRTR1 | |
| SCHEMBL4034713 | 0.82 | ALDH1A1 (0.44) | ALDH1A1PKMHPGDPOLBTP53 | |
| SCHEMBL4033608 | 0.79 | ALOX15 (0.41) | ALDH1A1TSHRGFERHCRTR1KMT2A | |
| SCHEMBL4037876 | 0.79 | ALDH1A1 (0.46) | ALDH1A1PKMKMT2AHPGDGAA | |
| SCHEMBL6209492 | 0.79 | ALOX15 (0.41) | ALDH1A1TSHRGFERHCRTR1KMT2A | |
| SCHEMBL4033601 | 0.72 | TP53 (0.40) | ALDH1A1TSHRHCRTR1KMT2AGAA | |
| SCHEMBL4035745 | 0.72 | MMP1 (0.40) | ALDH1A1GAAMAPK1 | |
| SCHEMBL4034716 | 0.70 | P2RX7 (0.42) | — | |
| SCHEMBL1382194 | 0.70 | PKM (0.61) | ALDH1A1PKMTSHRGFERHCRTR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1592389-A2 | PIPERAZINE-2-CARBOXAMIDE DERIVATIVES | Applied Research Systems ARS Holding N.V. (AN) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004071390-A2 | PIPERAZINE-2-CARBOXAMIDE DERIVATIVES | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2004-08-26 | — | — | WO | disclosed |