Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20777728 | 0.64 | CA2 (0.36) | TPMTGPR17 | |
| SCHEMBL31405547 | 0.63 | AKR1C4 (0.42) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 | |
| SCHEMBL8497484 | 0.62 | KDM4E (0.35) | TSHRSMN1; SMN2HPGDALPL | |
| SCHEMBL9279539 | 0.59 | CA12 (0.51) | — | |
| SCHEMBL8988900 | 0.58 | PTPN7 (0.47) | — | |
| SCHEMBL111202 | 0.57 | AKR1C4 (0.54) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 | |
| SCHEMBL1301827 | 0.56 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 | |
| Hydrochloric Acid SCHEMBL2512939 | 0.56 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 | |
| SCHEMBL5878784 | 0.56 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 | |
| SCHEMBL28392002 | 0.56 | AKR1C4 (0.52) | AKR1C4AKR1C3AKR1C2AKR1C1GRIN1 |
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-1993021171-A1 | USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME | RHONE-POULENC RORER S.A. (FR) | 1993-10-28 | — | — | WO | disclosed |