Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1271891 | 0.86 | KMO (0.61) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL3114998 | 0.81 | KMO (0.56) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL3114736 | 0.81 | KMO (0.49) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL9003193 | 0.80 | KMT2A (0.76) | HTTLMNAKDM4EPIK3CBKMT2A | |
| SCHEMBL28051955 | 0.78 | KMO (0.77) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL3118342 | 0.78 | KMO (0.52) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL1734333 | 0.78 | HSD17B10 (1.00) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL425089 | 0.78 | MEN1 (0.51) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL3105290 | 0.77 | KMT2A (0.51) | POLBHTTHSD17B10LMNAGPR55 | |
| SCHEMBL3112205 | 0.77 | HTT (0.58) | POLBHTTHSD17B10LMNAGPR55 |
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 |