Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 0.41 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11882770 | 0.83 | ALDH1A1 (0.62) | ALDH1A1YAP1TEAD4L3MBTL1LMNA | |
| SCHEMBL12359795 | 0.82 | ALDH1A1 (0.46) | ALDH1A1LMNAGAASMN1; SMN2 | |
| SCHEMBL17713778 | 0.79 | GAA (0.42) | ALDH1A1MAPTL3MBTL1LMNAGAA | |
| SCHEMBL1535175 | 0.79 | NLRP3 (0.36) | ALDH1A1MAPTL3MBTL1LMNAGAA | |
| SCHEMBL146591 | 0.77 | MAPT (0.37) | ALDH1A1YAP1TEAD4MAPTL3MBTL1 | |
| SCHEMBL13714198 | 0.77 | ALDH1A1 (0.39) | ALDH1A1LMNAABL1RIN1SMN1; SMN2 | |
| SCHEMBL1132078 | 0.77 | — | — | |
| SCHEMBL31348822 | 0.76 | ABL1 (0.44) | ALDH1A1MAPTLMNAGAAABL1 | |
| SCHEMBL14854942 | 0.76 | L3MBTL1 (0.33) | MAPTL3MBTL1LMNAGAARAB9A | |
| SCHEMBL5184241 | 0.76 | MAPT (0.38) | ALDH1A1YAP1TEAD4MAPTL3MBTL1 |
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-2061759-A1 | CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Brystol-Myers Squibb Company (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008042926-A1 | CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-04-10 | — | — | WO | disclosed |