Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.62 |
| ▸ | NPC1 | O15118 | 6/20 | 0.62 |
| ▸ | RAB9A | P51151 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | TP53 | P04637 | 3/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | MAOB | P27338 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL12289059 | 0.88 | KDM4E (0.83) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL5383815 | 0.83 | KDM4E (0.78) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL8483048 | 0.83 | KDM4E (0.62) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL4884228 | 0.83 | ALDH1A1 (0.77) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| Daidzein SCHEMBL21114371 | 0.77 | KDM4E (1.00) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| Daidzein SCHEMBL29374778 | 0.77 | KDM4E (1.00) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| Daidzein SCHEMBL19814 | 0.77 | KDM4E (1.00) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL4745653 | 0.76 | PIN1 (0.73) | KDM4ENPC1RAB9AALDH1A1HSD17B10 | |
| SCHEMBL21648241 | 0.76 | CA12 (1.00) | KDM4EALDH1A1HSD17B10HPGDCA12 | |
| SCHEMBL11623376 | 0.76 | PIN1 (0.59) | KDM4ENPC1RAB9AALDH1A1HSD17B10 |
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-2008107321-A1 | HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |