Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 11/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | G6PD | P11413 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059694 | 0.81 | TDP1 (0.54) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL8350047 | 0.79 | TP53 (0.52) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL27995684 | 0.77 | PDE10A (0.52) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL6762996 | 0.74 | GAA (0.38) | MAPTMAPK1NPSR1HSD17B10MEN1 | |
| SCHEMBL10704781 | 0.74 | RAPGEF4 (0.34) | TP53G6PDALDH1A1PKMMEN1 | |
| SCHEMBL13993982 | 0.74 | ESR1 (0.52) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL6572164 | 0.74 | ESR1 (0.48) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL3724489 | 0.74 | TDP1 (0.46) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL11513659 | 0.74 | G6PD (0.68) | TDP1TP53PDE10AESR1ESR2 | |
| SCHEMBL4686246 | 0.74 | HSP90AA1 (0.53) | TDP1TP53PDE10AALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |