Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.62 |
| ▸ | CNR1 | P21554 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13648229 | 0.89 | SMN1; SMN2 (0.70) | PTGS2ALDH1A1MEN1KMT2ACYP3A4 | |
| SCHEMBL4105004 | 0.87 | CNR1 (0.74) | CNR1ALDH1A1MEN1KMT2AMAOA | |
| SCHEMBL11054644 | 0.87 | CNR1 (0.74) | CNR1ALDH1A1MEN1KMT2AMAOA | |
| SCHEMBL23069098 | 0.83 | ALDH1A1 (0.68) | CNR1ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL9461862 | 0.82 | PTGS2 (0.67) | PTGS2ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL10330602 | 0.82 | MAOA (0.56) | ALDH1A1MEN1KMT2ACYP3A4GAA | |
| SCHEMBL11048619 | 0.78 | MEN1 (0.76) | CNR1ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL294587 | 0.78 | TSHR (0.67) | PTGS2ALDH1A1CYP3A4GAAMAOA | |
| SCHEMBL4741253 | 0.78 | MEN1 (0.76) | CNR1ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL20557568 | 0.78 | CNR1 (0.81) | CNR1ALDH1A1 |
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-1385818-A2 | BIURETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002074735-A2 | BIURETHANE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-09-26 | — | — | WO | disclosed |