Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.46 |
| ▸ | WNT3A | P56704 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237290 | 0.77 | ALDH1A1 (0.50) | ADAM17CTNNB1WNT3ASMN1; SMN2NPC1 | |
| SCHEMBL31651414 | 0.67 | KMT2A (0.65) | ADAM17CTNNB1WNT3ASMN1; SMN2NPC1 | |
| SCHEMBL7214385 | 0.67 | ADAM17 (1.00) | ADAM17CTNNB1WNT3AKMT2AMAPT | |
| SCHEMBL9048121 | 0.67 | ADAM17 (0.71) | ADAM17CTNNB1WNT3AKMT2AMAPT | |
| SCHEMBL15988815 | 0.66 | ADAM17 (0.59) | ADAM17CTNNB1WNT3ASMN1; SMN2NPC1 | |
| SCHEMBL15969761 | 0.65 | CTNNB1 (1.00) | ADAM17CTNNB1WNT3ARAB9AKMT2A | |
| SCHEMBL9633079 | 0.65 | ADAM17 (0.73) | ADAM17CTNNB1WNT3ASMN1; SMN2NPC1 | |
| SCHEMBL11321191 | 0.65 | AVPR1A (0.56) | ADAM17CTNNB1WNT3ANPC1RAB9A | |
| SCHEMBL3717752 | 0.65 | ADAM17 (0.68) | ADAM17CTNNB1WNT3ARAB9AKMT2A | |
| SCHEMBL8557156 | 0.64 | ADAM17 (0.68) | ADAM17CTNNB1WNT3ASMN1; SMN2NPC1 |
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-4251538-A | Indolealkylamines and processes for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-02-17 | — | — | US | disclosed |