Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8666971 | 0.95 | CYP3A4 (0.40) | PTPN1CYP3A4ALDH1A1ALOX15CNR1 | |
| SCHEMBL8664339 | 0.94 | CYP3A4 (0.42) | PTPN1CYP3A4ALDH1A1ALOX15CNR1 | |
| SCHEMBL8665274 | 0.90 | MITF (0.33) | PTPN1 | |
| SCHEMBL8666903 | 0.80 | MAOA (0.32) | — | |
| SCHEMBL8665291 | 0.71 | DRD2 (0.37) | PTPN1CYP3A4ALDH1A1ALOX15CNR1 | |
| SCHEMBL8665959 | 0.71 | DRD2 (0.37) | PTPN1CYP3A4ALDH1A1ALOX15CNR1 | |
| SCHEMBL5004363 | 0.68 | PTPN1 (0.51) | PTPN1ALDH1A1ALOX15CYP1A2CYP2C9 | |
| SCHEMBL8663611 | 0.67 | CYP3A4 (0.42) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL8660919 | 0.66 | GPR3 (0.34) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 | |
| SCHEMBL8665950 | 0.66 | CYP1A2 (0.38) | CYP3A4ALDH1A1ALOX15CYP1A2CYP2D6 |
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 |