Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 4/20 | 0.48 |
| ▸ | GLA | P06280 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 3/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | RXRG | P48443 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5592001 | 0.85 | KDM4E (0.48) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL24749451 | 0.82 | KDM4E (0.56) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL25983810 | 0.78 | KDM4E (0.52) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL3906275 | 0.76 | KIF11 (0.49) | ARRXRARXRBRXRG | |
| SCHEMBL27863089 | 0.75 | ALDH1A1 (0.40) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL2652120 | 0.74 | KIF11 (0.51) | RXRARXRBRXRG | |
| SCHEMBL15534698 | 0.74 | P2RX7 (0.44) | NPSR1ARLMNA | |
| SCHEMBL24751432 | 0.72 | AR (0.59) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL25994171 | 0.70 | AR (0.51) | KDM4EALDH1A1HPGDGAAGLA | |
| SCHEMBL1373309 | 0.70 | AR (0.58) | ARRXRARXRBRXRGPGR |
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-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | WO | disclosed |