Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | CASP3 | P42574 | 2/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5601789 | 0.79 | NOS3 (0.34) | RAB9ASMN1; SMN2NPC1ALDH1A1MAPK1 | |
| SCHEMBL5599881 | 0.79 | RAB9A (0.38) | CYP1A2TSHRCYP2A6RAB9ASMN1; SMN2 | |
| SCHEMBL5602298 | 0.78 | NQO2 (0.33) | RAB9ASMN1; SMN2NPC1CASP3SENP7 | |
| SCHEMBL5602263 | 0.78 | IDO1 (0.36) | TSHRRAB9ASMN1; SMN2NPC1CASP3 | |
| SCHEMBL5602257 | 0.78 | NPC1 (0.41) | CYP1A2TSHRRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL5602458 | 0.77 | HSD11B1 (0.35) | TSHR | |
| SCHEMBL5602449 | 0.77 | HSD11B1 (0.40) | CYP1A2TSHRTDP1CYP3A4MAPK1 | |
| SCHEMBL5600055 | 0.75 | NPC1 (0.33) | TSHRRAB9ASMN1; SMN2NPC1CASP3 | |
| SCHEMBL5603101 | 0.75 | — | — | |
| SCHEMBL5600733 | 0.75 | NOS2 (0.37) | POLBALDH1A1KDM4E |
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 |