Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8662797 | 0.99 | DRD2 (0.43) | CYSLTR2CYSLTR1DRD2DRD4DRD3 | |
| SCHEMBL7189694 | 0.81 | DRD3 (0.51) | DRD2DRD4DRD3CYP3A4ALDH1A1 | |
| SCHEMBL29508750 | 0.81 | LIPG (0.46) | CYSLTR2CYSLTR1DRD2DRD4DRD3 | |
| SCHEMBL28975089 | 0.81 | LIPG (0.46) | CYSLTR2CYSLTR1DRD2DRD4DRD3 | |
| SCHEMBL2416249 | 0.79 | LIPG (0.44) | CYSLTR2CYSLTR1DRD2DRD4DRD3 | |
| SCHEMBL9162757 | 0.77 | DRD2 (0.44) | DRD2DRD4DRD3CYP3A4ALDH1A1 | |
| SCHEMBL5256508 | 0.77 | DRD2 (0.38) | DRD2DRD4DRD3PNMTPOLB | |
| SCHEMBL7018893 | 0.75 | DRD2 (0.38) | DRD2DRD4DRD3PNMTPOLB | |
| SCHEMBL8663258 | 0.74 | ALDH1A1 (0.45) | DRD2CYP3A4ALDH1A1ALOX15CYP1A2 | |
| SCHEMBL8664369 | 0.74 | GPR84 (0.39) | CYSLTR2CYSLTR1DRD2CYP3A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | claimed |
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |