Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 3/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL9077993 | 0.95 | KDM4E (0.49) | KDM4EMAPTTDP1SMN1; SMN2HTT | |
| SCHEMBL9078694 | 0.87 | ALDH1A1 (0.47) | KDM4EMAPTTDP1SMN1; SMN2RAB9A | |
| SCHEMBL9078669 | 0.82 | MAPT (0.40) | KDM4EMAPTTDP1ALDH1A1KDR | |
| SCHEMBL9039039 | 0.81 | KMT2A (0.41) | KDM4EMAPTTDP1SMN1; SMN2HTT | |
| SCHEMBL9077636 | 0.81 | CDK2 (0.47) | MAPTTDP1CASP6ALDH1A1EIF4A1 | |
| SCHEMBL9208479 | 0.80 | MAPT (0.37) | MAPTTDP1SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL9216834 | 0.79 | ALDH1A1 (0.52) | KDM4EMAPTTDP1SMN1; SMN2RAB9A | |
| SCHEMBL9218961 | 0.78 | KDM4E (0.47) | KDM4EMAPTTDP1SMN1; SMN2HTT | |
| SCHEMBL9077610 | 0.78 | ALDH1A1 (0.44) | MAPTTDP1ALDH1A1HSP90AA1EIF4A1 | |
| SCHEMBL9077276 | 0.77 | MAPT (0.36) | MAPTSMN1; SMN2HTTPKMNFKB1 |
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 |