Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1503466 | 0.84 | IDO1 (0.35) | IDO1ALDH1A1HPGDMAPK1MAPT | |
| SCHEMBL5601649 | 0.78 | CYP1A2 (0.33) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL5601672 | 0.74 | IDO1 (0.38) | IDO1KMT2ARAB9AALDH1A1HPGD | |
| SCHEMBL5601023 | 0.73 | BRD4 (0.37) | BRD4AKT2KMT2ATDO2NPC1 | |
| SCHEMBL5603469 | 0.72 | IDH1 (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL5602257 | 0.72 | NPC1 (0.41) | IDO1BRD4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5602458 | 0.71 | HSD11B1 (0.35) | TSHR | |
| SCHEMBL5600733 | 0.70 | NOS2 (0.37) | ALDH1A1HPGDKDM4E | |
| SCHEMBL5603101 | 0.70 | — | — | |
| SCHEMBL22391489 | 0.70 | MAPT (0.48) | BRD4AKT2KMT2ATDO2NPC1 |
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 2 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 | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |