Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | UBE2N | P61088 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5601023 | 0.91 | BRD4 (0.37) | TRPA1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL5603370 | 0.78 | CYP1A2 (0.38) | TRPA1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL5601291 | 0.77 | TRPA1 (0.36) | TRPA1CYP1A2CYP2D6MAPK1TSHR | |
| SCHEMBL5600055 | 0.75 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2HPGDNFKB1 | |
| SCHEMBL5601908 | 0.73 | CYP1A2 (0.40) | TRPA1NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL5603142 | 0.72 | MAPK1 (0.35) | TRPA1CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL5600275 | 0.71 | TRPA1 (0.32) | TRPA1CYP1A2CYP2D6MAPK1 | |
| SCHEMBL5601526 | 0.70 | NOS2 (0.35) | TRPA1RAB9AHPGDCYP1A2KDM4E | |
| SCHEMBL5601761 | 0.70 | MAP3K14 (0.33) | TRPA1MAPK1 | |
| SCHEMBL5600593 | 0.69 | IDH1 (0.36) | NPC1RAB9ASMN1; SMN2HPGDPOLB |
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 |