Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MYLK | Q15746 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950793 | 0.96 | ALDH1A1 (0.38) | ALDH1A1GAAKDM4EHPGDLMNA | |
| SCHEMBL6766668 | 0.84 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4EHPGDLMNA | |
| SCHEMBL6766686 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL7491517 | 0.79 | GAA (0.40) | ALDH1A1GAAKDM4ETSHRHTT | |
| SCHEMBL6951562 | 0.79 | CYP2C9 (0.37) | CYP2C9CYP2C19 | |
| SCHEMBL6765763 | 0.78 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4EHPGDLMNA | |
| SCHEMBL7490930 | 0.76 | ALDH1A1 (0.40) | ALDH1A1GAAKDM4EHPGDLMNA | |
| SCHEMBL6952696 | 0.74 | KDM4E (0.33) | ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL6213758 | 0.72 | POLB (0.33) | KDM4ETSHR | |
| SCHEMBL6217832 | 0.71 | MAPK1 (0.33) | — |
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-1254118-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058875-A2 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | Grünenthal GmbH (DE) | 2001-08-16 | — | — | WO | disclosed |