Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | SLC18A3 | Q16572 | 10/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL393949 | 0.78 | ALDH1A1 (0.40) | TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL557667 | 0.75 | ESR2 (0.64) | ESR2SLC18A3CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL2778652 | 0.75 | ESR2 (0.64) | ESR2SLC18A3CYP2D6TSHRSMN1; SMN2 | |
| SCHEMBL6583115 | 0.75 | ESR2 (0.64) | ESR2SLC18A3CYP2D6TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7924149 | 0.74 | ALDH1A1 (0.38) | TSHRSMN1; SMN2ALDH1A1 | |
| Biphenyl SCHEMBL8027156 | 0.74 | ALDH1A1 (0.50) | ESR2SMN1; SMN2CYP1A2KCNA3ALDH1A1 | |
| Biphenyl SCHEMBL28893342 | 0.73 | ALDH1A1 (0.56) | SMN1; SMN2CYP1A2KCNA3ALDH1A1KDM1A | |
| Ethylene Glycol SCHEMBL8030036 | 0.70 | TDP1 (0.43) | SLC18A3TSHRSMN1; SMN2ALDH1A1 | |
| Catechol SCHEMBL16584581 | 0.70 | ALDH1A1 (0.59) | ESR2TSHRSMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL8727996 | 0.70 | ESR2 (0.57) | ESR2SLC18A3CYP2D6TSHRSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6136946-A | ESTER INTERCHANGE WITH HEATING IN PRESENCE OF BASIC OXIDE CATALYST | FUJI XEROX CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |