Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL8672611 | 0.88 | TDP1 (0.47) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL3655628 | 0.88 | TDP1 (0.53) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL2733013 | 0.85 | CYP3A4 (0.36) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL18241084 | 0.79 | TDP1 (0.39) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| Propane SCHEMBL27796760 | 0.77 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL28233649 | 0.77 | CYP3A4 (0.75) | TDP1CYP3A4TP53ESR1ESR2 | |
| SCHEMBL17414853 | 0.75 | TDP1 (0.36) | TDP1CYP3A4ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL19723221 | 0.74 | CYP3A4 (0.35) | TDP1CYP3A4ESR1ESR2 | |
| Propane SCHEMBL5921754 | 0.72 | CYP3A4 (0.43) | TDP1CYP3A4TP53ESR1ESR2 | |
| Propane SCHEMBL16653926 | 0.70 | CYP3A4 (0.41) | TDP1CYP3A4TP53ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2145937-B2 | Organic electroluminescence device and anthracene derivative | IDEMITSU KOSAN CO (JP) | 2016-03-02 | — | — | EP | disclosed |
| EP-0941270-A1 | THERMOPLASTIC ELASTOMER CARBON MONOXIDE/OLEFIN COPOLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998023665-A1 | THERMOPLASTIC ELASTOMER CARBON MONOXIDE/OLEFIN COPOLYMERS | BASF AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |