Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601846 | 0.88 | NPC1 (0.37) | ALDH1A1HPGDNPC1RAB9ATSHR | |
| SCHEMBL1091995 | 0.73 | HSD11B1 (0.34) | ALDH1A1NPC1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL5602984 | 0.67 | CALM1 (0.39) | ALDH1A1HPGDNPC1RAB9ATSHR | |
| SCHEMBL5602684 | 0.67 | TP53 (0.36) | ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL24062 | 0.66 | MEN1 (0.37) | IDO1ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL5602645 | 0.65 | HSD11B1 (0.38) | ALDH1A1TSHRHSD11B1 | |
| SCHEMBL5603060 | 0.64 | CYP2D6 (0.31) | — | |
| SCHEMBL5601672 | 0.64 | IDO1 (0.38) | IDO1ALDH1A1HPGDRAB9APDCD1 | |
| SCHEMBL27860206 | 0.63 | MEN1 (0.35) | IDO1ALDH1A1NPC1RAB9ATSHR | |
| SCHEMBL27971780 | 0.63 | MEN1 (0.35) | IDO1ALDH1A1NPC1RAB9ATSHR |
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 |