Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12486984 | 0.82 | KDM1A (0.36) | TDP1 | |
| SCHEMBL8547288 | 0.82 | KDM4E (0.32) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17450427 | 0.80 | CD44 (0.38) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL5702186 | 0.79 | NPSR1 (0.35) | TDP1KDM4E | |
| SCHEMBL2011119 | 0.78 | LMNA (0.43) | PTPN1CD44GRIN2DGRIN3BGRIN1 | |
| SCHEMBL8848996 | 0.77 | TAAR1 (0.47) | NPC1RAB9ATDP1KDM4E | |
| SCHEMBL8849136 | 0.75 | PPOX (0.41) | KDM4E | |
| SCHEMBL17466151 | 0.75 | CD44 (0.37) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL31593875 | 0.75 | CD44 (0.41) | CD44GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17466146 | 0.75 | CD44 (0.37) | CD44GRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078717-A1 | ACYLATED PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2004-09-16 | — | — | WO | disclosed |
| EP-0772580-A1 | BENZOYL DERIVATIVES AND SYNTHESIS THEREOF | MONSANTO COMPANY (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996002486-A1 | BENZOYL DERIVATIVES AND SYNTHESIS THEREOF | MONSANTO COMPANY (US) | 1996-02-01 | — | — | WO | disclosed |