Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ns-398. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.98 |
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.98 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.57 |
| ▸ | CYP19A1 | P11511 | 17/20 | 0.98 |
| ▸ | MEN1 | O00255 | 2/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.98 |
| ▸ | MAPT | P10636 | 2/20 | 0.98 |
| ▸ | TSHR | P16473 | 2/20 | 0.98 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.98 |
| ▸ | PTGES | O14684 | 1/20 | 0.98 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.98 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.98 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.98 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MLNR | O43193 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | MPO | P05164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Ns-398 SCHEMBL29368077 | 0.99 | CYP19A1 (1.00) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| Ns-398 SCHEMBL214213 | 0.99 | CYP19A1 (1.00) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| SCHEMBL9504767 | 0.99 | CYP19A1 (1.00) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| Ns-398 SCHEMBL9505682 | 0.98 | CYP19A1 (0.98) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| Ns-398 SCHEMBL9505672 | 0.98 | CYP19A1 (0.98) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| Ns-398 SCHEMBL9505633 | 0.98 | CYP19A1 (0.98) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| Ns-398 SCHEMBL9505669 | 0.98 | CYP19A1 (0.98) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| SCHEMBL3296493 | 0.98 | CYP19A1 (1.00) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| SCHEMBL8942521 | 0.89 | CYP19A1 (0.82) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 | |
| SCHEMBL9504750 | 0.88 | CYP19A1 (0.82) | CYP19A1PTGS2MEN1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0317332-B1 | SULFONANILIDE COMPOUNDS | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1993-05-19 | — | — | EP | disclosed |
| US-4885367-A | ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1989-12-05 | — | — | US | disclosed |
| EP-0317332-A2 | Sulfonanilide compounds | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1989-05-24 | — | — | EP | disclosed |