Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9846738 | 0.84 | LMNA (0.33) | TSHRSMN1; SMN2CNR2ALDH1A1L3MBTL1 | |
| SCHEMBL9846780 | 0.84 | PDK2 (0.39) | TSHRSMN1; SMN2PDK2CNR2HDAC4 | |
| SCHEMBL9846682 | 0.79 | CASP1 (0.30) | — | |
| SCHEMBL9846679 | 0.79 | SIGMAR1 (0.33) | SIGMAR1 | |
| SCHEMBL8129019 | 0.69 | KMT2A (0.37) | ALDH1A1CYP3A4 | |
| SCHEMBL5087790 | 0.68 | TSHR (0.42) | TSHRSMN1; SMN2PDK2CNR2ALDH1A1 | |
| SCHEMBL9846729 | 0.68 | BACE1 (0.37) | TSHRHDAC8 | |
| SCHEMBL9846715 | 0.68 | CTSD (0.36) | TSHRSMN1; SMN2CNR2ALDH1A1TP53 | |
| SCHEMBL9846695 | 0.67 | BACE1 (0.34) | ALDH1A1CYP2C9HPGDCYP2C19MAPT | |
| SCHEMBL7783228 | 0.67 | ALDH1A1 (0.34) | TSHRSMN1; SMN2ALDH1A1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0450487-A1 | Benzoxazine derivatives, method for their preparation and their use for treating or prophylaxis of diseases | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-09 | — | — | EP | disclosed |