Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9279459 | 0.92 | CDC25B (0.50) | CDC25BKDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL9080297 | 0.85 | MTNR1A (0.47) | CDC25BKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL9079015 | 0.83 | KDM4E (0.51) | CDC25BKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL9041814 | 0.82 | NR4A1 (0.51) | CDC25BKDM4EALDH1A1HPGDMAPT | |
| SCHEMBL9080057 | 0.76 | ALDH1A1 (0.41) | CDC25BKDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL11271721 | 0.76 | KDM4E (0.57) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL31613816 | 0.76 | CDC25B (0.64) | CDC25BKDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL2510203 | 0.76 | CDC25B (0.64) | CDC25BKDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL9041045 | 0.75 | CLK1 (0.42) | CDC25BKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL9077953 | 0.74 | CNR2 (0.40) | CDC25BKDM4EALDH1A1HPGDSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |