Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601908 | 0.85 | CYP1A2 (0.40) | CYP1A2CYP2D6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5603370 | 0.80 | CYP1A2 (0.38) | CYP1A2CYP2D6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5602257 | 0.80 | NPC1 (0.41) | CYP1A2CYP2D6NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5603129 | 0.79 | CYP1A2 (0.42) | CYP1A2CYP2D6NPC1RAB9AMAPK1 | |
| SCHEMBL5600589 | 0.77 | EGFR (0.35) | ALDH1A1HPGDMAPT | |
| SCHEMBL5601291 | 0.75 | TRPA1 (0.36) | CYP1A2CYP2D6MAPK1HRH4TRPA1 | |
| SCHEMBL5603142 | 0.73 | MAPK1 (0.35) | CYP1A2CYP2D6MAPK1TRPA1HTT | |
| SCHEMBL5601488 | 0.70 | MAOA (0.45) | CYP1A2CYP2D6TRPA1HTT | |
| SCHEMBL5603569 | 0.70 | TRPA1 (0.35) | CYP1A2CYP2D6MAPK1TRPA1 | |
| SCHEMBL5603137 | 0.70 | GABRA1 (0.36) | CYP1A2CYP2D6MAPK1TRPA1ALDH1A1 |
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 |