Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL89628 | 0.82 | KDM4E (0.50) | ALDH1A1KDM4ELMNATDP1PLA2G2A | |
| SCHEMBL2671214 | 0.79 | KDM4E (0.47) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL663196 | 0.79 | MEN1 (0.44) | ALDH1A1KDM4E | |
| SCHEMBL20749484 | 0.79 | KDM4E (0.53) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL28174124 | 0.79 | KDM4E (0.53) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL668838 | 0.78 | KDM4E (0.69) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL4874263 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL88994 | 0.77 | PLA2G2A (0.40) | ALDH1A1KDM4EPLA2G2AHCAR3MAPT | |
| SCHEMBL1423804 | 0.75 | KDM4E (0.49) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL15599661 | 0.74 | LOXL2 (0.45) | — |
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-2007077005-A1 | 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |