Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | FFAR2 | O15552 | 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 | |
|---|---|---|---|---|
| SCHEMBL7552546 | 0.84 | AKR1C3 (0.48) | AKR1C3AKR1C2HCAR2CYP1A2CYP3A4 | |
| SCHEMBL8922398 | 0.76 | AKR1C3 (0.33) | AKR1C3AKR1C2 | |
| SCHEMBL27412443 | 0.74 | AKR1C3 (0.46) | AKR1C3AKR1C2HCAR2HDAC3HDAC1 | |
| SCHEMBL1808417 | 0.71 | HCAR2 (0.38) | HCAR2 | |
| SCHEMBL11007947 | 0.71 | CYP11B1 (0.41) | LMNA | |
| SCHEMBL2438138 | 0.70 | AKR1C3 (0.42) | AKR1C3AKR1C2HCAR2LMNA | |
| SCHEMBL16919626 | 0.70 | CYP19A1 (0.34) | — | |
| SCHEMBL18885103 | 0.69 | CYP19A1 (0.33) | — | |
| SCHEMBL11463162 | 0.68 | SLC6A4 (0.45) | CYP3A4 | |
| SCHEMBL28131366 | 0.67 | CYP19A1 (0.36) | — |
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-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |