Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31549962 | 0.84 | SIGMAR1 (0.35) | — | |
| SCHEMBL28799251 | 0.83 | DNM1 (0.31) | DNM1ALDH1A1TSHR | |
| SCHEMBL15436603 | 0.81 | TDP1 (0.40) | TDP1CYP2C9CYP2C19DNM1HTR2A | |
| SCHEMBL11798932 | 0.78 | ALDH1A1 (0.35) | DNM1HTR2AHRH1ALDH1A1TSHR | |
| SCHEMBL8851278 | 0.76 | — | — | |
| SCHEMBL8849665 | 0.73 | — | — | |
| SCHEMBL27844285 | 0.73 | — | — | |
| SCHEMBL20530223 | 0.72 | TDP1 (0.33) | TDP1CYP2C9CYP2C19HTR2AHRH1 | |
| SCHEMBL9128915 | 0.72 | TDP1 (0.43) | TDP1CYP2C9CYP2C19DNM1HTR2A | |
| SCHEMBL7103688 | 0.71 | SIGMAR1 (0.32) | CYP2C9 |
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-1108001-A1 | PIGMENT COMPOSITIONS CONTAINING SUBSTITUTED AMIDO PHTHALOCYANINE DERIVATIVES | Ciba SC Holding AG (CH) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012633-A1 | PIGMENT COMPOSITIONS CONTAINING SUBSTITUTED AMIDO PHTHALOCYANINE DERIVATIVES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-03-09 | — | — | WO | disclosed |