Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PTGFR | P43088 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL164424 | 0.88 | HPGD (0.57) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL6647000 | 0.82 | SMN1; SMN2 (0.52) | SMN1; SMN2ALDH1A1RAB9ANPC1POLB | |
| SCHEMBL164426 | 0.79 | L3MBTL1 (0.55) | SMN1; SMN2ALDH1A1RAB9ANPC1POLB | |
| SCHEMBL4703237 | 0.76 | POLB (0.59) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL2755853 | 0.74 | MAPK1 (0.60) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL30206599 | 0.74 | MAPK1 (0.60) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL4242979 | 0.74 | KCNA5 (0.54) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL166870 | 0.72 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1RAB9ANPC1POLB | |
| SCHEMBL13947349 | 0.72 | RAB9A (0.65) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL1694984 | 0.72 | RAB9A (0.62) | SMN1; SMN2ALDH1A1RAB9ANPC1MEN1 |
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-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |