Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 3/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | TPO | P07202 | 1/20 | 0.31 |
| ▸ | EPX | P11678 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5603742 | 0.75 | HTR2A (0.39) | HTR2ACALM1BCL2BCL2L1MPO | |
| SCHEMBL5600601 | 0.74 | TRPA1 (0.40) | TRPA1BACE1CYP3A4CYP1A2BCHE | |
| SCHEMBL14802059 | 0.73 | CALM1 (0.44) | HTR2ACALM1BCL2BCL2L1CYP3A4 | |
| SCHEMBL5602277 | 0.72 | HTR2A (0.37) | HTR2ATRPA1CALM1BCL2BCL2L1 | |
| SCHEMBL27785929 | 0.72 | HTR2A (0.42) | HTR2ACALM1BCL2BCL2L1CYP3A4 | |
| SCHEMBL5600121 | 0.71 | DRD2 (0.38) | HTR2ATRPA1BCL2L1BACE1CYP3A4 | |
| SCHEMBL24828 | 0.70 | TRPA1 (0.54) | HTR2ATRPA1BACE1CYP3A4CYP1A2 | |
| SCHEMBL5602068 | 0.68 | HTR2A (0.39) | HTR2ACALM1BCL2BCL2L1MPO | |
| SCHEMBL5602226 | 0.68 | TRPA1 (0.35) | TRPA1BACE1CYP2C9CYP2C19 | |
| SCHEMBL9821093 | 0.68 | TRPA1 (0.35) | TRPA1BACE1 |
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 4 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 |
| EP-1735354-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Company Inc. (US) | 2006-12-27 | — | — | EP | disclosed |
| US-20050261449-A1 | Heterocyclic substituted metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENT INC. | 2005-11-24 | — | — | US | disclosed |
| WO-2005105864-A1 | HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-10 | — | — | WO | disclosed |