Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601017 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6TRPA1TSHRMAPK1 | |
| SCHEMBL5600589 | 0.83 | EGFR (0.35) | LMNA | |
| SCHEMBL5601291 | 0.81 | TRPA1 (0.36) | CYP1A2CYP2D6TRPA1TSHRMAPK1 | |
| SCHEMBL15157038 | 0.76 | ELANE (0.33) | CYP1A2 | |
| SCHEMBL5601488 | 0.76 | MAOA (0.45) | CYP1A2CYP2D6TRPA1HTTMAOA | |
| SCHEMBL5603137 | 0.76 | GABRA1 (0.36) | CYP1A2CYP2D6TRPA1TSHRMAPK1 | |
| SCHEMBL5603569 | 0.76 | TRPA1 (0.35) | CYP1A2CYP2D6TRPA1MAPK1 | |
| SCHEMBL5603142 | 0.75 | MAPK1 (0.35) | CYP1A2CYP2D6TRPA1MAPK1HTT | |
| SCHEMBL5603370 | 0.75 | CYP1A2 (0.38) | CYP1A2CYP2D6TRPA1MAPK1HRH4 | |
| SCHEMBL5601023 | 0.75 | BRD4 (0.37) | CYP1A2CYP2D6TRPA1MAPK1SMN1; SMN2 |
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-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | claimed |
| US-7276567-B2 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-10-02 | — | — | US | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |