Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL15966536 | 0.76 | TSHR (0.42) | ALDH1A1POLBLMNAHSD17B10L3MBTL1 | |
| SCHEMBL15966571 | 0.76 | TSHR (0.42) | ALDH1A1POLBLMNAHSD17B10L3MBTL1 | |
| SCHEMBL27655077 | 0.75 | ALDH1A1 (0.47) | ALDH1A1POLBLMNAL3MBTL1TSHR | |
| SCHEMBL24766843 | 0.73 | MEN1 (0.46) | ABCB1ALDH1A1POLBLMNAL3MBTL1 | |
| SCHEMBL22100562 | 0.73 | MEN1 (0.46) | ABCB1ALDH1A1POLBLMNAL3MBTL1 | |
| SCHEMBL3450839 | 0.71 | MEN1 (0.41) | ABCB1ALDH1A1POLBLMNAL3MBTL1 | |
| SCHEMBL3450837 | 0.71 | MEN1 (0.41) | ABCB1ALDH1A1POLBLMNAL3MBTL1 | |
| SCHEMBL14085934 | 0.70 | MEN1 (0.43) | ABCB1ALDH1A1POLBLMNAMAOB | |
| SCHEMBL13657503 | 0.68 | MAOB (0.45) | ABCB1ALDH1A1POLBLMNAHSD17B10 | |
| SCHEMBL3364898 | 0.68 | NPC1 (0.52) | ALDH1A1POLBLMNAL3MBTL1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2957555-A1 | METHOD FOR MODIFYING DERIVATIVES OF AMINO ACIDS AND PEPTIDES, COMPOUNDS PRODUCED, AND USE | Consejo Superior De Investigaciones Científicas (CSIC) (ES) | 2015-12-23 | — | — | EP | disclosed |