Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4469441 | 0.84 | GSTP1 (0.40) | GSTP1HDAC4HDAC2HDAC8SLC6A2 | |
| SCHEMBL26606289 | 0.83 | NR1H2 (0.32) | ALDH1A1HPGDKDM4E | |
| SCHEMBL1827132 | 0.80 | PDCD1 (0.39) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL30229874 | 0.80 | PDCD1 (0.39) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL7863648 | 0.78 | PDCD1 (0.38) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| Lithium SCHEMBL6324236 | 0.78 | PDCD1 (0.38) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL27185392 | 0.78 | PDCD1 (0.38) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL7643421 | 0.78 | PDCD1 (0.38) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL6324232 | 0.78 | PDCD1 (0.38) | CYP2A6ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL6330045 | 0.78 | HTR1A (0.34) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0968158-A1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | Basell Polyolefine GmbH (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998040331-A1 | PREPARATION OF PREPARING SUBSTITUTED INDANONES | TARGOR GMBH (DE) | 1998-09-17 | — | — | WO | disclosed |