Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 9/20 | 0.38 |
| ▸ | CTSB | P07858 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5579577 | 1.00 | KDM4E (0.41) | KDM4EALDH1A1HPGDHSD17B10BACE1 | |
| SCHEMBL5579493 | 0.91 | CYP1A2 (0.47) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL5579494 | 0.91 | CYP1A2 (0.47) | KDM4EALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL5126861 | 0.91 | BACE1 (0.38) | ALDH1A1BACE1CTSBNPC1SMN1; SMN2 | |
| SCHEMBL5579505 | 0.86 | KMT2A (0.38) | ALDH1A1HSD17B10BACE1CTSBSMN1; SMN2 | |
| SCHEMBL5579513 | 0.86 | KMT2A (0.38) | ALDH1A1HSD17B10BACE1CTSBSMN1; SMN2 | |
| SCHEMBL5124419 | 0.82 | KMT2A (0.42) | BACE1CTSBKMT2ACTSDHDAC1 | |
| SCHEMBL5124411 | 0.82 | KMT2A (0.42) | BACE1CTSBKMT2ACTSDHDAC1 | |
| SCHEMBL3346887 | 0.82 | BACE1 (0.52) | BACE1CTSBCTSD | |
| SCHEMBL13308143 | 0.82 | BACE1 (0.52) | BACE1CTSBCTSD |
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 |
|---|---|---|---|---|---|---|---|
| US-7294642-B2 | 1,3-Diamino-2-hydroxypropane pro-drug derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-11-13 | — | — | US | claimed |