Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 2/20 | 0.40 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL10963447 | 0.91 | ALDH1A1 (0.48) | CYP3A4CYP2C9KMT2AHTTALDH1A1 | |
| Phthalic Acid SCHEMBL29429444 | 0.91 | ALDH1A1 (0.48) | CYP3A4CYP2C9KMT2AHTTALDH1A1 | |
| SCHEMBL75798 | 0.87 | ALDH1A1 (0.41) | KMT2AALDH1A1HPGDKDM4ECLCN2 | |
| SCHEMBL17911667 | 0.85 | GABRP (0.40) | KMT2AALDH1A1HPGDKDM4ECLCN2 | |
| Diethyl Phthalate SCHEMBL8873370 | 0.85 | TSHR (0.60) | CYP3A4CYP2C9KMT2AHTTALDH1A1 | |
| Diethyl Phthalate SCHEMBL30147367 | 0.85 | TSHR (0.60) | CYP3A4CYP2C9KMT2AHTTALDH1A1 | |
| Acetic Acid SCHEMBL10946506 | 0.84 | GABRP (0.39) | KMT2AALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL18038406 | 0.83 | PTPN1 (0.45) | CYP3A4CYP2C9ALDH1A1TSHR | |
| SCHEMBL14686370 | 0.83 | SMN1; SMN2 (0.37) | CYP3A4CYP2C9KMT2AHTTALDH1A1 | |
| SCHEMBL29658282 | 0.82 | LMNA (0.42) | KMT2AHTTMYCALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0058888-A2 | Conditioning of phthalocyanine compounds | MOBAY CHEMICAL CORPORATION (US) | 1982-09-01 | — | — | EP | disclosed |