Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6900506 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL9998357 | 0.85 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL25252134 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL2182699 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL2221455 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL6897847 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL23748824 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL25461074 | 0.81 | ABCB1 (0.55) | ALDH1A1MAPK1L3MBTL1MAPTHPGD | |
| SCHEMBL17549816 | 0.80 | CHRNB2 (0.67) | ALDH1A1MAPK1L3MBTL1HPGDCHRNB2 | |
| SCHEMBL7703626 | 0.80 | ALDH1A1 (0.49) | ALDH1A1MAPK1L3MBTL1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-9580417-B2 | Prodrugs of heteraromatic compounds | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-02-28 | — | — | US | disclosed |
| WO-2011084846-A1 | QUATERNARY AMMONIUM SALT PRODRUGS | ALKERMES, INC. (US) | 2011-07-14 | — | — | WO | disclosed |