Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL13471700 | 0.84 | ALDH1A1 (0.60) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL12568259 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL14288350 | 0.79 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL2569391 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL12620551 | 0.79 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL4244410 | 0.77 | ALDH1A1 (0.53) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL1574357 | 0.77 | ALDH1A1 (0.74) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL2058323 | 0.77 | ALDH1A1 (0.74) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL1595309 | 0.76 | ALDH1A1 (0.58) | ALDH1A1GAAL3MBTL1PTGES2POLB | |
| SCHEMBL3010846 | 0.76 | GAA (0.64) | ALDH1A1GAAL3MBTL1PTGES2POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1507756-A4 | CCR9 INHIBITORS AND METHODS OF USE THEREOF | MILLENNIUM PHARM INC (US) | 2006-03-15 | — | — | EP | disclosed |
| EP-1507756-A1 | CCR9 INHIBITORS AND METHODS OF USE THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003099773-A1 | CCR9 INHIBITORS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |