Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8621609 | 0.92 | SMN1; SMN2 (0.51) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8626988 | 0.84 | GRIN2B (0.52) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8623217 | 0.83 | FAAH (0.37) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8549063 | 0.83 | TSHR (0.53) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL9377530 | 0.83 | BCHE (0.47) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8549687 | 0.82 | HTT (0.47) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8552717 | 0.82 | LMNA (0.47) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL8552715 | 0.82 | LMNA (0.47) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 | |
| SCHEMBL9819768 | 0.77 | L3MBTL1 (0.63) | SMN1; SMN2RAB9ANPC1GRIN2BTSHR | |
| SCHEMBL13519706 | 0.76 | SMN1; SMN2 (0.67) | SMN1; SMN2RAB9ANPC1GRIN2BCYP2D6 |
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-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 |