Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CCL2 | P13500 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL6813029 | 0.98 | HTR2A (0.40) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| Hydrochloric Acid SCHEMBL7535330 | 0.98 | HTR2A (0.40) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL31297722 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL30990099 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL8693987 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL197033 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL29430337 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL8693899 | 0.75 | HTR2A (0.41) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL5698322 | 0.74 | HTR2A (0.44) | HTR2AHTR6SIGMAR1CYP2D6KDM4E | |
| SCHEMBL3381093 | 0.73 | HTR2A (0.40) | HTR2AHTR6SIGMAR1CYP2D6KDM4E |
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-1019421-A1 | TRANSITION METAL COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS A CATALYST COMPONENT | DSM N.V. (NL) | 2000-07-19 | — | — | EP | disclosed |
| WO-1997023493-A1 | TRANSITION METAL COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS A CATALYST COMPONENT | DSM N.V. (NL) | 1997-07-03 | — | — | WO | disclosed |