Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3583793 | 0.76 | ABCB1 (0.37) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL3583790 | 0.76 | ABCB1 (0.37) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL3587932 | 0.74 | MAPT (0.38) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL1447237 | 0.71 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL3590737 | 0.71 | POLB (0.40) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL3581240 | 0.71 | MAPT (0.40) | ALDH1A1LMNAMAPTSMN1; SMN2GAA | |
| SCHEMBL3590792 | 0.70 | TUBB4A (0.39) | ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL4949287 | 0.70 | POLB (0.41) | ALDH1A1LMNAMAPTSMN1; SMN2KDM4E | |
| SCHEMBL3591585 | 0.69 | POLB (0.42) | ALDH1A1LMNAMAPTSMN1; SMN2NPSR1 | |
| SCHEMBL1447506 | 0.69 | ALDH1A1 (0.52) | ALDH1A1LMNAMAPTSMN1; SMN2KDM4E |
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-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | WO | disclosed |