Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.33 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL8665959 | 1.00 | DRD2 (0.37) | DRD2DRD4CYP3A4ALDH1A1ALOX15 | |
| SCHEMBL8664339 | 0.77 | CYP3A4 (0.42) | DRD2CYP3A4ALDH1A1ALOX15CYSLTR2 | |
| SCHEMBL8666971 | 0.75 | CYP3A4 (0.40) | DRD2CYP3A4ALDH1A1ALOX15CYSLTR2 | |
| SCHEMBL8663995 | 0.71 | GPR3 (0.38) | CYP3A4ALDH1A1ALOX15CYSLTR2CYSLTR1 | |
| SCHEMBL8665552 | 0.71 | GPR3 (0.38) | CYP3A4ALDH1A1ALOX15CYSLTR2CYSLTR1 | |
| SCHEMBL8663948 | 0.71 | GPR3 (0.38) | CYP3A4ALDH1A1ALOX15CYSLTR2CYSLTR1 | |
| SCHEMBL8664563 | 0.71 | PTPN1 (0.35) | CYP3A4ALDH1A1ALOX15PTPN1CYP1A2 | |
| SCHEMBL8662799 | 0.70 | CYP1A2 (0.39) | DRD2CYP3A4ALDH1A1ALOX15CYSLTR2 | |
| SCHEMBL8661943 | 0.70 | CYP1A2 (0.39) | DRD2CYP3A4ALDH1A1ALOX15CYSLTR2 | |
| SCHEMBL8664349 | 0.69 | CYSLTR2 (0.40) | CYP3A4ALDH1A1ALOX15CYSLTR2CYSLTR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | claimed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | 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 |