Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11046372 | 0.75 | TAAR1 (0.42) | — | |
| SCHEMBL16598215 | 0.73 | L3MBTL1 (0.44) | TSHR | |
| SCHEMBL7970286 | 0.69 | KMT2A (0.43) | MBOAT4CYP3A4TSHR | |
| SCHEMBL22576217 | 0.68 | ALDH1A1 (0.55) | MBOAT4CYP3A4TSHR | |
| SCHEMBL1108476 | 0.68 | CALM1 (0.44) | TSHR | |
| SCHEMBL7971464 | 0.67 | GAA (0.45) | — | |
| SCHEMBL7972071 | 0.67 | CYSLTR1 (0.45) | — | |
| SCHEMBL29712341 | 0.66 | — | — | |
| SCHEMBL378811 | 0.66 | — | — | |
| SCHEMBL28781356 | 0.66 | CYP3A4 (0.39) | MBOAT4CYP3A4TSHR |
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-2707373-A1 | BICYCLIC (THIO)CARBONYLAMIDINES | Bayer Intellectual Property GmbH (DE) | 2014-03-19 | — | — | EP | disclosed |
| WO-2012152741-A1 | BICYCLIC (THIO)CARBONYLAMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-15 | — | — | WO | disclosed |