Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phenylmethanesulfonamide. 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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.79 |
| ▸ | CA1 | P00915 | 2/20 | 0.79 |
| ▸ | CA5A | P35218 | 1/20 | 0.79 |
| ▸ | CA9 | Q16790 | 1/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| Phenylmethanesulfonamide SCHEMBL27810395 | 0.98 | CA2 (0.76) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL9492234 | 0.91 | CA2 (0.86) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL7371 | 0.89 | CA2 (1.00) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL4428481 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL31442719 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL4059166 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL9400757 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL3638470 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL9006012 | 0.87 | CA2 (0.95) | CA2CA1CA5ACA9KMT2A | |
| Phenylmethanesulfonamide SCHEMBL1546211 | 0.85 | CA2 (0.91) | CA2CA1CA5ACA9KMT2A |
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-1663239-A4 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS SINAI MEDICAL CENTER (US) | 2008-07-23 | — | — | EP | disclosed |
| EP-1663239-A2 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS-SINAI MEDICAL CENTER (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005025511-A2 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS-SINAI MEDICAL CENTER (US) | 2005-03-24 | — | — | WO | disclosed |