Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950943 | 0.79 | CRBN (0.33) | ALDH1A1CRBNTBXAS1PDE3BPDE3A | |
| SCHEMBL7952170 | 0.79 | ADH5 (0.44) | TBXAS1CYP3A4 | |
| Water SCHEMBL6553144 | 0.75 | CYP3A4 (0.36) | ALDH1A1CRBNTBXAS1PDE3BPDE3A | |
| SCHEMBL8666436 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CRBNTBXAS1PDE3BPDE3A | |
| SCHEMBL27378289 | 0.72 | ALDH1A1 (0.40) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6617400 | 0.69 | NCOA3 (0.36) | ALDH1A1CRBNPDE3BPDE3ALMNA | |
| SCHEMBL6617261 | 0.68 | CRBN (0.38) | ALDH1A1CRBNPDE3BPDE3ALMNA | |
| SCHEMBL4259477 | 0.67 | ALDH1A1 (0.38) | ALDH1A1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27526105 | 0.65 | CA1 (0.39) | ALDH1A1CRBNLMNACYP1A2CYP3A4 | |
| SCHEMBL12391451 | 0.64 | ALDH1A1 (0.57) | ALDH1A1TBXAS1CD38LMNACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242443-B1 | 1,2,4-benzothiadiazine derivatives, their preparation and use | NOVO NORDISK AIS (DK) | 2001-06-05 | — | — | US | disclosed |
| CN-1222910-A | 1,2, 4-benzothiadiazine derivatives, method for preparing same and use thereof | NOVO NORDISK AS (DK) | 1999-07-14 | — | — | CN | disclosed |