Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.51 |
| ▸ | BCL2 | P10415 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27522740 | 0.88 | ALDH1A1 (0.74) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5238436 | 0.87 | TSHR (0.65) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5233758 | 0.86 | TSHR (0.63) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL8971238 | 0.85 | ALDH1A1 (0.73) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5236516 | 0.85 | ALDH1A1 (0.57) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL5232709 | 0.83 | ALDH1A1 (0.63) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL28218260 | 0.80 | ALDH1A1 (0.57) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL6781102 | 0.78 | RAB9A (0.66) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL27555334 | 0.75 | ALDH1A1 (0.81) | ALDH1A1ADRB2LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL22611753 | 0.74 | CA2 (0.64) | LMNATSHRCA1CA2KMT2A |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804440-B1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | WYETH CORP (US) | 2007-12-19 | — | — | EP | disclosed |
| EP-0804438-B1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | WYETH CORP (US) | 2006-03-15 | — | — | EP | disclosed |
| CN-1065244-C | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID CO (US) | 2001-05-02 | — | — | CN | disclosed |
| CN-1061658-C | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID CO (US) | 2001-02-07 | — | — | CN | disclosed |
| CN-1231666-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1999-10-13 | — | — | CN | disclosed |
| EP-0915876-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1999-05-19 | — | — | EP | disclosed |
| CN-1190391-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID CO (US) | 1998-08-12 | — | — | CN | disclosed |
| WO-1997049708-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1998-05-22 | — | — | WO | disclosed |
| CN-1181084-A | Tricyclic benzazepine vasopression antagonists | AMERICAN CYANAMID CO (US) | 1998-05-06 | — | — | CN | disclosed |
| WO-1997049707-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1997-12-31 | — | — | WO | disclosed |
| EP-0804420-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0804440-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-11-05 | — | — | EP | disclosed |
| US-5612334-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1997-03-18 | — | — | US | disclosed |
| US-5610156-A | USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| WO-1996022295-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1996-11-14 | — | — | WO | disclosed |
| WO-1996022293-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022282-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022295-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5536718-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1996-07-16 | — | — | US | disclosed |
| US-5532235-A | TO TREAT EXCESS RENAL REABSORPTION | AMERICAN CYANAMID COMPANY (US) | 1996-07-02 | — | — | US | disclosed |