Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CASP6 | P55212 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | TYMS | P04818 | 5/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.41 |
| ▸ | PDE4A | P27815 | 4/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9077996 | 0.94 | MAPT (0.52) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9078696 | 0.87 | TYMS (0.51) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9078671 | 0.81 | TYMS (0.43) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9039042 | 0.78 | ALDH1A1 (0.47) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9077637 | 0.78 | ALDH1A1 (0.51) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9208484 | 0.77 | ALDH1A1 (0.41) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9077614 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TYMSLMNA | |
| SCHEMBL29532369 | 0.76 | TYMS (0.61) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL1565380 | 0.76 | TYMS (0.61) | MAPTALDH1A1L3MBTL1TDP1KDM4E | |
| SCHEMBL9077278 | 0.75 | ALDH1A1 (0.40) | MAPTALDH1A1KDM4ECASP6SMN1; SMN2 |
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-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |