Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MT-CO2 | P00403 | 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 | |
|---|---|---|---|---|
| SCHEMBL13378358 | 0.88 | ALDH1A1 (0.46) | ALDH1A1IDO1LMNATSHRHSD11B1 | |
| SCHEMBL7394559 | 0.84 | KCNN4 (0.44) | ALDH1A1IDO1HSD11B1BRD4CREBBP | |
| SCHEMBL29468031 | 0.83 | CYP2A6 (0.62) | ALDH1A1IDO1LMNATSHRHSD11B1 | |
| SCHEMBL5373779 | 0.83 | CYP2A6 (0.62) | ALDH1A1IDO1LMNATSHRHSD11B1 | |
| SCHEMBL112040 | 0.80 | — | — | |
| SCHEMBL2478161 | 0.80 | ALDH1A1 (0.45) | ALDH1A1IDO1LMNATSHRHSD11B1 | |
| SCHEMBL23198751 | 0.78 | PLA2G7 (0.50) | ALDH1A1IDO1LMNATSHRHSD11B1 | |
| O-Xylene SCHEMBL28322428 | 0.78 | CYP2A6 (0.56) | ALDH1A1IDO1TSHRHSD11B1CYP2A6 | |
| Fluoride SCHEMBL28877073 | 0.77 | ALDH1A1 (0.62) | ALDH1A1IDO1LMNATSHRCYP2A6 | |
| Hydrochloric Acid SCHEMBL10426264 | 0.77 | ALDH1A1 (0.62) | ALDH1A1IDO1LMNATSHRCYP2A6 |
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-4507513-A | NICKEL ACETYLACETONE AS CATALYST | FMC CORPORATION (US) | 1985-03-26 | — | — | US | disclosed |