Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10560457 | 0.88 | ALDH1A1 (0.48) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL10338609 | 0.79 | ALDH1A1 (0.50) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL12090742 | 0.79 | CYP19A1 (0.48) | ALDH1A1TP53CCR1KCNH2NPC1 | |
| SCHEMBL4902703 | 0.78 | ADRB1 (0.49) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL4902708 | 0.78 | ADRB1 (0.49) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL9653148 | 0.78 | ADRB1 (0.49) | ALDH1A1GLATP53TSHRHIF1A | |
| SCHEMBL10774435 | 0.78 | NPC1 (0.39) | CCR1KCNH2NPC1MAPK13MAPK12 | |
| SCHEMBL6588791 | 0.76 | CCR1 (0.41) | CCR1KCNH2NPC1MAPK13MAPK12 | |
| SCHEMBL18513671 | 0.76 | NPC1 (0.40) | CCR1KCNH2NPC1MAPK13MAPK12 | |
| SCHEMBL10601444 | 0.76 | ALDH1A1 (0.50) | ALDH1A1GLATP53TSHRHIF1A |
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-0005828-A1 | New substituted phenylpiperazine derivatives, pharmaceutical compositions containing them and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-12-12 | — | — | EP | disclosed |