Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2598880 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL27577769 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL27977944 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL3041384 | 0.75 | TDP1 (0.46) | ALDH1A1KDM4EHSD17B10MAPK1CYP3A4 | |
| SCHEMBL1408521 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL5155844 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| Benzene SCHEMBL27977946 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL6086661 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL3945895 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 | |
| SCHEMBL28360990 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4EHSD17B10MAPTMAPK1 |
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-6229026-B1 | REACTING AN ISOBENZOFURAN DERIVATIVE WITH GRIGNARD REAGENTS 4-HALOGEN-FLUOROPHENYL AND 3-HALOGEN-N,N-DIMETHYLPROPYLAMINE; CAUSING RING-CLOSURE OF THE PRODUCT AND CONVERSION TO 5-CYANO DERIVATIVE | H. LUNDBECK, A/S (DK) | 2001-05-08 | — | — | US | disclosed |