Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Saccharin. 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 7/20 | 0.79 |
| ▸ | CA9 | Q16790 | 7/20 | 0.79 |
| ▸ | CA2 | P00918 | 6/20 | 0.79 |
| ▸ | CA1 | P00915 | 3/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.79 |
| ▸ | CA4 | P22748 | 2/20 | 0.79 |
| ▸ | CA7 | P43166 | 2/20 | 0.79 |
| ▸ | USP2 | O75604 | 1/20 | 0.79 |
| ▸ | LMNA | P02545 | 1/20 | 0.79 |
| ▸ | BCHE | P06276 | 1/20 | 0.79 |
| ▸ | CA6 | P23280 | 1/20 | 0.79 |
| ▸ | CA5A | P35218 | 1/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.79 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.79 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.79 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ALPL | P05186 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Saccharin SCHEMBL10962118 | 0.98 | CA12 (0.81) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL29141814 | 0.96 | CA12 (0.79) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL27642958 | 0.93 | CA12 (0.85) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL27387484 | 0.93 | CA12 (0.85) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL28045129 | 0.93 | CA12 (0.92) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL27876263 | 0.91 | CA12 (0.76) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL28742559 | 0.91 | CA12 (0.81) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL28334570 | 0.91 | CA12 (0.88) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL27848168 | 0.91 | CA12 (0.88) | CA12CA9CA2CA1KDM4E | |
| Saccharin SCHEMBL10627242 | 0.91 | CA12 (0.96) | CA12CA9CA2CA1KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0157899-B1 | MULTIVALENT PNEUMOCOCCAL VACCINE AND PREPARATION THEREOF | AMERICAN CYANAMID COMPANY (US) | 1992-06-17 | — | — | EP | disclosed |
| US-4686102-A | CAPSULAR POLYSACCHARIDES PURIFIED FROM FERMENTATION LYSATE BY CONTROLLED ALCOHOL PRECIPITATION | AMERICAN CYANAMID COMPANY (US) | 1987-08-11 | — | — | US | disclosed |
| EP-0157899-A2 | Multivalent pneumococcal vaccine and preparation thereof | AMERICAN CYANAMID COMPANY (US) | 1985-10-16 | — | — | EP | disclosed |
| EP-0024493-B1 | MULTIVALENT PNEUMOCOCCAL VACCINE | AMERICAN CYANAMID COMPANY (US) | 1985-06-12 | — | — | EP | disclosed |
| EP-0024493-A2 | Multivalent pneumococcal vaccine | AMERICAN CYANAMID COMPANY (US) | 1981-03-11 | — | — | EP | disclosed |