Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | CFD | P00746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL7819754 | 0.77 | KDM4E (0.44) | ALDH1A1AKR1C3AKR1C2LMNAHPGD | |
| SCHEMBL7818300 | 0.76 | KDM4E (0.47) | ALDH1A1CYP3A4POLBLMNANPC1 | |
| SCHEMBL7817781 | 0.74 | CA12 (0.37) | ALDH1A1CYP3A4POLBHPGDL3MBTL1 | |
| SCHEMBL6685590 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HPGDRAB9ANPC1 | |
| SCHEMBL4204148 | 0.70 | MTNR1A (0.42) | ALDH1A1CYP1A2MTNR1AALOX15TSHR | |
| SCHEMBL30992968 | 0.68 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP1A2CYP2C19LMNA | |
| SCHEMBL547618 | 0.68 | CYP3A4 (0.68) | ALDH1A1CYP3A4CYP1A2CYP2C19LMNA | |
| SCHEMBL5337947 | 0.68 | POLB (0.44) | ALDH1A1CYP1A2CYP2C19POLBHPGD | |
| SCHEMBL5207755 | 0.68 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2CYP2C19POLB | |
| SCHEMBL28222381 | 0.65 | CFD (0.46) | ALDH1A1CYP1A2CYP2C19POLBL3MBTL1 |
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-2005083102-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 1,4-BENZODIOXIN-2-CARBOXYLIC ACID DERIVATIVE | MERCIAN CORPORATION (JP) | 2005-09-09 | — | — | WO | disclosed |