Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzo[D]Isoxazole SCHEMBL29366929 | 0.89 | — | — | |
| Benzo[D]Isoxazole SCHEMBL8438 | 0.89 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.89 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1982876 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL29184280 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL5158032 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL27762814 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL5778868 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL21596877 | 0.87 | TDO2 (0.34) | TDP1TDO2NPC1RAB9A | |
| Benzo[D]Isoxazole SCHEMBL28482344 | 0.87 | TDO2 (0.39) | TDP1TDO2NPC1RAB9A |
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 | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |