Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27146530 | 0.82 | ALDH1A1 (0.60) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL27032985 | 0.82 | ALDH1A1 (0.60) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29096793 | 0.81 | ALDH1A1 (0.59) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL8564550 | 0.77 | SIRT2 (0.72) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL14736563 | 0.77 | RAB9A (0.70) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL17595755 | 0.76 | NOTUM (1.00) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL27745691 | 0.76 | ALDH1A1 (0.60) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| Hydrochloric Acid SCHEMBL29828714 | 0.76 | HPGD (0.55) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 | |
| SCHEMBL6206857 | 0.74 | NOTUM (0.60) | NOTUMRAB9AL3MBTL1NPC1ALDH1A1 | |
| SCHEMBL7977108 | 0.74 | ALDH1A1 (0.69) | NOTUMRAB9AL3MBTL1NPC1CYP1A2 |
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-1515726-A1 | MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004002491-A1 | MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2004-01-08 | — | — | WO | disclosed |