Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.44 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.44 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.44 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.44 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27487636 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL27632126 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4060943 | 0.82 | ALDH1A1 (0.46) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27603737 | 0.76 | ALDH1A1 (0.85) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL41250 | 0.75 | ALDH1A1 (0.69) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL1402759 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL9488488 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL2954516 | 0.73 | ALDH1A1 (0.79) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| SCHEMBL12501 | 0.71 | ALDH1A1 (0.73) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 | |
| Magnesium Chloride Anhydrous SCHEMBL27723160 | 0.69 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1B1CYP1A2CYP3A4 |
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-5328877-A | Halogenation a magnesium compound, teaction with titanium tetrahalide to form titanium trihalide phenoxy | SHELL OIL COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| US-5225385-A | Magnesium-titanium complex | SHELL OIL COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0357135-B1 | SOLID ALKENE POLYMERIZATION CATALYST COMPONENTS AND PROCESS FOR THEIR PREPARATION | SHELL INT RESEARCH (NL) | 1992-12-23 | — | — | EP | disclosed |
| EP-0357135-A2 | Solid alkene polymerization catalyst components and process for their preparation | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-03-07 | — | — | EP | disclosed |