Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9587860 | 0.82 | CA1 (0.38) | TSHRSMN1; SMN2PDK2CYP1A2CYP2D6 | |
| SCHEMBL9589108 | 0.82 | LMNA (0.34) | TSHRPDK2L3MBTL1HPGDLMNA | |
| SCHEMBL9588058 | 0.80 | CA1 (0.43) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9587692 | 0.76 | GAA (0.34) | TSHRSMN1; SMN2PDK2CYP1A2CYP2D6 | |
| SCHEMBL9530888 | 0.70 | NPC1 (0.35) | TSHRSMN1; SMN2PDK2CYP1A2CYP2D6 | |
| SCHEMBL9529728 | 0.70 | CNR2 (0.42) | TSHRSMN1; SMN2PDK2CYP1A2CYP2D6 | |
| SCHEMBL9532407 | 0.67 | GRM5 (0.36) | TSHRSMN1; SMN2PDK2CYP1A2CYP2D6 | |
| SCHEMBL10509862 | 0.66 | CASP6 (0.41) | SMN1; SMN2CYP2C9L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL136476 | 0.64 | ALDH1A1 (0.67) | TSHRSMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9530317 | 0.64 | MEN1 (0.40) | TSHRBRD4ALDH1A1HPGDMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5272170-A | Tetralones with pharmacological activity | J. URIACH & CIA., S.A. (ES) | 1993-12-21 | — | — | US | disclosed |
| US-5208246-A | Hypotensive, bronchodilator | J. URIACH & CIA. (ES) | 1993-05-04 | — | — | US | disclosed |
| EP-0489300-A2 | Tetralones with pharmacological activity | J. URIACH & CIA. S.A. (ES) | 1992-06-10 | — | — | EP | disclosed |