Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | EYA2 | O00167 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Edetic Acid SCHEMBL3796431 | 1.00 | TDP1 (0.36) | TDP1EYA2APPACEBLM | |
| Pentetic Acid SCHEMBL3798491 | 0.99 | TDP1 (0.38) | TDP1EYA2APPACEBLM | |
| Pentetic Acid SCHEMBL4158519 | 0.99 | TDP1 (0.38) | TDP1EYA2APPACEBLM | |
| Pentetic Acid SCHEMBL3797811 | 0.99 | TDP1 (0.38) | TDP1EYA2APPACEBLM | |
| Nitrilotriacetic Acid SCHEMBL3801112 | 0.95 | — | — | |
| Edetic Acid SCHEMBL4169915 | 0.92 | KDM4E (0.31) | TDP1EYA2APPACEKDM4E | |
| Edetic Acid SCHEMBL3802209 | 0.84 | TDP1 (0.32) | TDP1EYA2APPACEBLM | |
| Pentetic Acid SCHEMBL3802223 | 0.83 | TDP1 (0.33) | TDP1EYA2APPACEBLM | |
| SCHEMBL39209 | 0.83 | — | — | |
| Nitrilotriacetic Acid SCHEMBL4149067 | 0.82 | CYP3A4 (0.38) | KDM4ECHRM2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2207522-A2 | BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS | BASF SE (DE) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009047150-A2 | BODY-CARE AND HOUSEHOLD PRODUCTS AND COMPOSITIONS COMPRISING SPECIFIC SULFUR-CONTAINING COMPOUNDS | BASF SE (CH) | 2009-04-16 | — | — | WO | disclosed |
| WO-2006122888-A1 | INK JET INK AND RECORDING MATERIAL | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2006-11-23 | — | — | WO | disclosed |