Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650242 | 0.78 | KDM4E (0.42) | KDM4EDYRK1ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2833446 | 0.76 | CRHR1 (0.43) | HCAR3CRHR1S1PR1S1PR3 | |
| SCHEMBL13728021 | 0.73 | KDM4E (0.39) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL14530223 | 0.73 | KDM4E (0.45) | KDM4ECRHR1MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL13685054 | 0.73 | ACACB (0.44) | CRHR1DYRK1AAOC3OPRM1NAPEPLD | |
| SCHEMBL1733541 | 0.73 | KDM4E (0.81) | KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL2826624 | 0.73 | ADORA3 (0.37) | KDM4EMAPTALDH1A1HPGDHSD17B10 | |
| SCHEMBL13403110 | 0.72 | CRHR1 (0.40) | HCAR3CRHR1MAPTDYRK1ASMN1; SMN2 | |
| SCHEMBL7214552 | 0.71 | TDP1 (0.51) | KDM4EMAPTSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL16199856 | 0.71 | HCAR3 (0.49) | KDM4EHCAR3MAPTSMN1; SMN2ALDH1A1 |
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 3 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 |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |