Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL292398 | 0.78 | CYP1A2 (0.40) | CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1 | |
| SCHEMBL3071001 | 0.78 | CYP2A6 (0.40) | CYP1A2CYP2A6CYP2C19ALDH1A1HPGD | |
| SCHEMBL10745593 | 0.78 | POLB (0.43) | CYP2A6ALDH1A1HSD17B10TP53LMNA | |
| SCHEMBL16426466 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1 | |
| SCHEMBL6415623 | 0.75 | LMNA (0.36) | TNKS2LMNA | |
| SCHEMBL3269033 | 0.72 | CYP1A2 (0.35) | CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1 | |
| SCHEMBL21496349 | 0.72 | HPGD (0.39) | CYP1A2CYP2A6ALDH1A1BACE1HPGD | |
| SCHEMBL8651623 | 0.68 | SENP2 (0.35) | CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1 | |
| SCHEMBL7084589 | 0.68 | TDP1 (0.45) | ALDH1A1MAPTKDM4EHTTMEN1 | |
| SCHEMBL2336588 | 0.67 | CYP1A2 (0.41) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 |
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-4344896-A | Preparation of 2-cyanoaldehydes by rhodium-catalyzed hydroformylation | CHEVRON RESEARCH COMPANY (US) | 1982-08-17 | — | — | US | disclosed |