Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TPMT | P51580 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CCR6 | P51684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622981 | 0.86 | TDP1 (0.52) | TDP1CYP3A4IMPDH2MAPTTPMT | |
| SCHEMBL10008427 | 0.84 | TDP1 (0.50) | TDP1CYP3A4IMPDH2MAPTTPMT | |
| SCHEMBL4490735 | 0.83 | TDP1 (0.54) | TDP1CYP3A4MAPTTPMTPTPN1 | |
| SCHEMBL29421972 | 0.83 | TDP1 (0.54) | TDP1CYP3A4MAPTTPMTPTPN1 | |
| SCHEMBL29727382 | 0.81 | TDP1 (0.58) | TDP1CYP3A4MAPTTPMTPTPN1 | |
| SCHEMBL28272590 | 0.81 | TDP1 (0.52) | TDP1CYP3A4IMPDH2MAPTTPMT | |
| SCHEMBL1961832 | 0.81 | TDP1 (0.58) | TDP1CYP3A4MAPTTPMTPTPN1 | |
| SCHEMBL28175634 | 0.79 | TDP1 (0.50) | TDP1CYP3A4MAPTTPMTTUBB1 | |
| SCHEMBL17773091 | 0.79 | TDP1 (0.50) | TDP1CYP3A4MAPTTPMTPTPN1 | |
| SCHEMBL5454389 | 0.77 | ACHE (0.40) | TDP1CYP3A4IMPDH2MAPTTUBB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007004091-A2 | NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF COENZYMES, PROCESS FOR THE PREPARATION OF NOVEL INTERMEDIATES AND AN IMPROVED PROCESS FOR THE PREPARATION OF COENZYMES | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2007-01-11 | — | — | WO | disclosed |