Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL497405 | 0.85 | KMT2A (0.66) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL11559708 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL6302952 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL27427084 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL28655048 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL29491183 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL67303 | 0.82 | ALDH1A1 (0.65) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| Cyclohexane SCHEMBL15141700 | 0.81 | KMT2A (0.59) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL8927020 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E | |
| SCHEMBL8474949 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP1A2HPGDHSD17B10KDM4E |
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-5138098-A | Catalytic actlation using complexing agent | AMOCO CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |