Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16981129 | 0.91 | GABRA1 (0.43) | SMPD1GLACYP3A4 | |
| SCHEMBL7926140 | 0.86 | TTR (0.51) | ESR1GLASMN1; SMN2CNR1CNR2 | |
| SCHEMBL7043742 | 0.86 | BIRC5 (0.49) | GLASMN1; SMN2CNR2CYP1A2CYP3A4 | |
| SCHEMBL7952850 | 0.85 | CYP3A4 (0.44) | SMPD1GLACYP3A4 | |
| Vanillyl Alcohol SCHEMBL117402 | 0.84 | CYP3A4 (0.52) | GLACYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL31412813 | 0.84 | ALDH1A1 (0.55) | CYP3A4 | |
| SCHEMBL586875 | 0.84 | ALDH1A1 (0.55) | CYP3A4 | |
| SCHEMBL7782157 | 0.83 | SMPD1 (0.55) | SMPD1ESR1CYP1A2CYP3A4CYP2C8 | |
| SCHEMBL69195 | 0.81 | SMN1; SMN2 (0.40) | ESR1GLASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL2499099 | 0.81 | SLC6A4 (0.45) | GLASMN1; SMN2CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010076564-A2 | ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION | BIOLIPOX AB (SE) | 2010-07-08 | — | — | WO | disclosed |
| US-4891297-A | STORAGE STABILITY, HIGH COLOR DENSITY | FUJI PHOTO FILM CO.,LTD. (JP) | 1990-01-02 | — | — | US | disclosed |
| US-3983160-A | Process for the preparation of hydroxyphenylacetonitriles | BAYER AKTIENGESELLSCHAFT (DT) | 1976-09-28 | — | — | US | disclosed |