Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CHRM1CHRM2CHRM3CHRM4ESR1ESR2GABRA1GABRB1GABRG2GBA1HRH1HTR1DHTR2AOPRD1OPRK1OPRM1SLC6A2SLC6A3TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Abt-724. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.78 |
| ▸ | DRD4 | P21917 | 17/20 | 0.80 |
| ▸ | DRD2 | P14416 | 2/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.78 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Abt-724 SCHEMBL29406160 | 0.89 | DRD4 (1.00) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL1448486 | 0.89 | DRD4 (1.00) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL4807361 | 0.89 | DRD4 (0.81) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL4807347 | 0.89 | DRD4 (0.81) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL29634880 | 0.88 | DRD4 (1.00) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL6316908 | 0.88 | DRD4 (1.00) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL6325676 | 0.86 | DRD4 (0.85) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| Abt-724 SCHEMBL6317285 | 0.86 | DRD4 (0.85) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL3435012 | 0.78 | DRD4 (0.71) | DRD4DRD2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL6096279 | 0.78 | DRD4 (0.76) | DRD4DRD2KDM4EALDH1A1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1483258-A1 | BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION | Abbott Laboratories (US) | 2004-12-08 | — | — | EP | claimed |
| WO-2003076431-A1 | BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION | ABBOTT LABORATORIES (US) | 2003-09-18 | — | — | WO | claimed |