Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL2907036 | 1.00 | TSHR (0.62) | TSHRACHEP2RX7ALDH1A1TP53 | |
| O-Xylene SCHEMBL11212422 | 1.00 | TSHR (0.62) | TSHRACHEP2RX7ALDH1A1TP53 | |
| O-Xylene SCHEMBL10976233 | 1.00 | TSHR (0.62) | TSHRACHEP2RX7ALDH1A1TP53 | |
| O-Xylene SCHEMBL11192456 | 1.00 | TSHR (0.62) | TSHRACHEP2RX7ALDH1A1TP53 | |
| O-Xylene SCHEMBL10970480 | 1.00 | TSHR (0.62) | TSHRACHEP2RX7ALDH1A1TP53 | |
| Decane SCHEMBL15200902 | 0.97 | TSHR (0.59) | TSHRACHEP2RX7ALDH1A1TP53 | |
| Nonane SCHEMBL10943433 | 0.97 | TSHR (0.59) | TSHRACHEP2RX7ALDH1A1TP53 | |
| O-Xylene SCHEMBL10941793 | 0.97 | TSHR (0.59) | TSHRACHEP2RX7ALDH1A1TP53 | |
| Hexadecane SCHEMBL9547561 | 0.97 | TSHR (0.59) | TSHRACHEP2RX7ALDH1A1TP53 | |
| Octane SCHEMBL8046192 | 0.97 | TSHR (0.59) | TSHRACHEP2RX7ALDH1A1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4384087-A | REACTION OF TRANSITION METAL AND METAL HALIDE COMPOUND, AND TITANIUM TETRAHALIDE | PHILLIPS PETROLEUM COMPANY (US) | 1983-05-17 | — | — | US | disclosed |
| US-4363746-A | Composition of matter and method of preparing same, catalyst, method of producing the catalyst and polymerization process employing the catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1982-12-14 | — | — | US | disclosed |
| US-4325837-A | COORDINATION CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1982-04-20 | — | — | US | disclosed |