Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | LIPG | Q9Y5X9 | 9/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.48 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1609860 | 0.85 | CD38 (0.47) | ALDH1A1L3MBTL1NPC1SMN1; SMN2MEN1 | |
| SCHEMBL4886377 | 0.79 | SMN1; SMN2 (0.51) | ALDH1A1L3MBTL1NPC1SMN1; SMN2MEN1 | |
| SCHEMBL20387472 | 0.77 | SMYD3 (0.54) | SMYD3 | |
| SCHEMBL9270161 | 0.76 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1LIPGNPC1SMN1; SMN2 | |
| SCHEMBL9270164 | 0.76 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1LIPGNPC1SMN1; SMN2 | |
| SCHEMBL11898543 | 0.76 | HPGDS (0.48) | — | |
| SCHEMBL11896421 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1LIPGNPC1SMN1; SMN2 | |
| SCHEMBL11896424 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1LIPGNPC1SMN1; SMN2 | |
| SCHEMBL26934068 | 0.73 | ROCK2 (0.61) | NPC1SMN1; SMN2MEN1RAB9AKMT2A | |
| SCHEMBL24011180 | 0.73 | ROCK2 (0.52) | NPC1SMN1; SMN2MEN1RAB9AKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569647-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SmithKline Beecham Corporation (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054581-A2 | CYCLOHEXYL COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |