Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4805641 | 0.88 | ABCB1 (0.47) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL31738607 | 0.84 | ABCB1 (0.45) | ABCB1ALDH1A1MAPK1L3MBTL1TSHR | |
| SCHEMBL17008833 | 0.81 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1TSHRCCR6 | |
| SCHEMBL25461074 | 0.80 | ABCB1 (0.55) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL16207467 | 0.77 | ABCB1 (0.50) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL10349779 | 0.75 | ABCB1 (0.48) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL21070691 | 0.75 | ABCB1 (0.51) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL21069664 | 0.75 | ABCB1 (0.51) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL5069687 | 0.74 | ALDH1A1 (0.50) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 | |
| SCHEMBL19189188 | 0.74 | CCR6 (0.49) | ABCB1ALDH1A1MAPK1L3MBTL1CCR6 |
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-0958283-A1 | NEW COMPOUNDS WITH HEMOREGULATING EFFECT | Nycomed Austria GmbH (AT) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998032738-A1 | NEW COMPOUNDS WITH HEMOREGULATING EFFECT | NYCOMED AUSTRIA GMBH (AT) | 1998-07-30 | — | — | WO | disclosed |