Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL7601678 | 0.82 | CPB2 (0.33) | — | |
| SCHEMBL19661282 | 0.79 | CA1 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA12 | |
| SCHEMBL5543850 | 0.79 | CPB2 (0.33) | — | |
| SCHEMBL2567911 | 0.79 | CPB2 (0.33) | — | |
| SCHEMBL8387845 | 0.77 | — | — | |
| SCHEMBL6232124 | 0.76 | EPOR (0.40) | — | |
| SCHEMBL8777384 | 0.75 | FAAH (0.36) | CYP2C19HTTCA12CA1CA2 | |
| SCHEMBL15108035 | 0.75 | TDP1 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA12 | |
| SCHEMBL11898585 | 0.75 | TDP1 (0.44) | CYP1A2CYP2C9CYP2C19HTTCA12 | |
| SCHEMBL8874144 | 0.74 | TDP1 (0.39) | CYP2C19CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5679852-A | Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |
| US-5676923-A | SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-14 | — | — | 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 |