Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1512850 | 0.84 | ALDH1A1 (0.51) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL26814869 | 0.84 | HPGD (0.67) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL95001 | 0.84 | ALDH1A1 (0.51) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL28562969 | 0.84 | ALDH1A1 (0.56) | ALDH1A1LMNAACHEHPGDEPHX2 | |
| SCHEMBL3001144 | 0.82 | ALDH1A1 (0.63) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL11441548 | 0.82 | NPC1 (0.63) | ALDH1A1HPGDNFKB1SMN1; SMN2NPC1 | |
| SCHEMBL13566308 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL10644293 | 0.80 | SMN1; SMN2 (0.59) | ALDH1A1LMNATSHRHPGDEPHX2 | |
| SCHEMBL3629060 | 0.79 | ALDH1A1 (0.77) | ALDH1A1LMNAACHETSHRSLC22A2 | |
| SCHEMBL15168443 | 0.79 | LMNA (0.55) | ALDH1A1LMNAACHETSHRSLC22A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7071219-B2 | Mono-acylated o-phenylendiamines derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-07-04 | — | — | US | disclosed |