Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.30 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8777319 | 0.88 | TDP1 (0.41) | CYP2D6 | |
| SCHEMBL5551672 | 0.79 | CYP2D6 (0.35) | NR1D1CYP2D6 | |
| SCHEMBL5555285 | 0.78 | CYP1A2 (0.37) | NR1D1CYP2D6 | |
| SCHEMBL8777354 | 0.75 | TDP1 (0.39) | CYP2D6 | |
| SCHEMBL6511739 | 0.74 | CYP2D6 (0.35) | CYP2D6 | |
| SCHEMBL8058792 | 0.74 | CYP2D6 (0.35) | CYP2D6 | |
| SCHEMBL8387845 | 0.73 | — | — | |
| SCHEMBL8874144 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL19458 | 0.73 | TDP1 (0.42) | NR1D1CYP2D6 | |
| SCHEMBL7662090 | 0.72 | CTSS (0.33) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5730956-A | DTPA di-alkyl monoamides for x-ray and MRI | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |
| US-5676926-A | Process for the production of DTPA-tetraesters of terminal carboxylic acids | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-14 | — | — | US | disclosed |
| US-5514810-A | Process for the production of DTPA-tetraesters of terminal carboxylic acids | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-05-07 | — | — | US | disclosed |