Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8340745 | 0.87 | KMT2A (0.43) | — | |
| SCHEMBL7595591 | 0.82 | ITGA4 (0.41) | ITGA4ITGB7CTSSCTSKMAPT | |
| SCHEMBL7511620 | 0.81 | CTSS (0.40) | ITGA4ITGB7CTSSCTSK | |
| SCHEMBL7601470 | 0.81 | AKT1 (0.42) | ITGA4ITGB7CTSSCTSKHCRTR1 | |
| SCHEMBL7666444 | 0.81 | ATM (0.40) | ITGA4ITGB7CTSSCTSKAKT1 | |
| SCHEMBL30216501 | 0.80 | ACHE (0.48) | ITGA4ITGB7TDP1 | |
| SCHEMBL7597532 | 0.80 | ITGA4 (0.52) | ITGA4ITGB7CTSSCTSKHCRTR1 | |
| SCHEMBL7597534 | 0.80 | ITGA4 (0.52) | ITGA4ITGB7CTSSCTSKHCRTR1 | |
| SCHEMBL6490581 | 0.78 | EPOR (0.55) | OPRD1OPRK1CTSSCTSKCTSL | |
| SCHEMBL6490577 | 0.78 | EPOR (0.55) | OPRD1OPRK1CTSSCTSKCTSL |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5885548-A | Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| US-5853699-A | Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-29 | — | — | US | disclosed |
| US-5746995-A | DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |
| EP-0794939-A1 | NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| EP-0794938-A1 | NOVEL SUBSTITUTED DTPA DERIVATIVES, THEIR METAL COMPLEXES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPLEXES AND THEIR USE IN DIAGNOSIS AND THERAPY | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| EP-0794799-A2 | USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016677-A2 | USE OF METAL COMPLEXES AS LIVER AND GALL BLADDER RADIODIAGNOSIS AGENTS IN COMPUTER TOMOGRAPHY | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |
| WO-1996016929-A1 | NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |
| WO-1996016928-A1 | NOVEL SUBSTITUTED DTPA DERIVATIVES, THEIR METAL COMPLEXES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPLEXES AND THEIR USE IN DIAGNOSIS AND THERAPY | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-06 | — | — | WO | disclosed |