Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.31 |
| ▸ | LIPE | Q05469 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4263067 | 1.00 | THRB (0.40) | THRBCYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4265684 | 0.84 | SMN1; SMN2 (0.32) | SMN1; SMN2PDK1ALDH1A1LIPEPOLB | |
| SCHEMBL14156797 | 0.84 | THRB (0.36) | THRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20625158 | 0.81 | ALDH1A1 (0.33) | SMN1; SMN2PDK1ALDH1A1LIPENPC1 | |
| SCHEMBL24565374 | 0.80 | ALDH1A1 (0.47) | THRBSMN1; SMN2PDK1ALDH1A1POLB | |
| SCHEMBL141713 | 0.80 | ALDH1A1 (0.47) | THRBSMN1; SMN2PDK1ALDH1A1POLB | |
| SCHEMBL3633452 | 0.79 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL28131063 | 0.77 | PPM1B (0.39) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL9097897 | 0.75 | ALDH1A1 (0.49) | SMN1; SMN2PDK1ALDH1A1POLB | |
| SCHEMBL1700624 | 0.74 | THRB (0.53) | THRBSMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009013293-A1 | SUBSTITUTED CYCLOHEXANECARBOXAMIDES USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2009-01-29 | — | — | WO | disclosed |