Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.33 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10356346 | 0.78 | ESR1 (0.39) | ESR2ESR1CYP3A4ALDH1A1SIGMAR1 | |
| SCHEMBL10598204 | 0.70 | ESR1 (0.57) | KIF11ESR2ESR1CYP3A4ALDH1A1 | |
| SCHEMBL7809644 | 0.70 | SMN1; SMN2 (0.47) | CYP3A4SIGMAR1SMN1; SMN2CYP2D6MEN1 | |
| SCHEMBL7808926 | 0.70 | KIF11 (0.47) | KIF11ESR2ESR1CYP3A4ALDH1A1 | |
| SCHEMBL246639 | 0.68 | SMN1; SMN2 (0.52) | CYP3A4SIGMAR1SMN1; SMN2CYP2D6MEN1 | |
| SCHEMBL10816937 | 0.68 | ALDH1A1 (0.47) | KIF11ESR2ESR1CYP3A4ALDH1A1 | |
| SCHEMBL8727229 | 0.67 | CYP2C9 (0.42) | KIF11ALDH1A1SMN1; SMN2CYP2D6MEN1 | |
| SCHEMBL11623430 | 0.66 | HTR2A (0.44) | SIGMAR1SMN1; SMN2CYP2D6MEN1KMT2A | |
| SCHEMBL936317 | 0.66 | SMN1; SMN2 (0.50) | ESR2ESR1CYP3A4ALDH1A1SIGMAR1 | |
| SCHEMBL28539349 | 0.66 | CHRM2 (0.50) | CYP3A4SIGMAR1SMN1; SMN2CYP2D6MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4094908-A | Alpha-substituted benzhydrol derivatives | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1978-06-13 | — | — | US | disclosed |
| US-4039589-A | LIVER MICROSOMAL ENZYMES | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1977-08-02 | — | — | US | disclosed |