Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | JAK1 | P23458 | 2/20 | 0.46 |
| ▸ | TYK2 | P29597 | 2/20 | 0.46 |
| ▸ | JAK3 | P52333 | 2/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3594917 | 0.89 | SMN1; SMN2 (0.51) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL20542493 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL15453812 | 0.82 | ENPP2 (0.56) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL13910005 | 0.81 | SCN9A (0.47) | SMN1; SMN2CYP2C19CYP2C9MEN1KMT2A | |
| SCHEMBL20541282 | 0.81 | GPR119 (0.49) | SMN1; SMN2NPC1RAB9AHTTFAAH | |
| SCHEMBL20705254 | 0.81 | AADAT (0.54) | — | |
| SCHEMBL27035855 | 0.80 | GRIN2B (0.66) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL8594128 | 0.78 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B | |
| SCHEMBL2952296 | 0.78 | CASP8 (0.42) | NPSR1HTTFAAH | |
| SCHEMBL28306819 | 0.78 | PTGDR2 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817677-A | ANTITHROMBOSIS AGENTS | DR. KARL THOMAE GMBH (DE) | 1998-10-06 | — | — | US | disclosed |
| EP-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |