Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | APP | P05067 | 10/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | PYCR1 | P32322 | 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 | |
|---|---|---|---|---|
| SCHEMBL9154630 | 0.86 | ALDH1A1 (0.39) | CYP3A4IDO1 | |
| SCHEMBL9249830 | 0.76 | TP53 (0.46) | IDO1 | |
| SCHEMBL1932991 | 0.76 | CYP3A4 (0.42) | CYP3A4IDO1APPCYP1A2CYP2D6 | |
| SCHEMBL3465880 | 0.76 | IDO1 (0.48) | IDO1CYP1A2 | |
| SCHEMBL11658046 | 0.75 | CYP1A2 (0.45) | CYP3A4IDO1APPCYP1A2CYP2D6 | |
| SCHEMBL2123502 | 0.74 | IDO1 (0.46) | IDO1 | |
| SCHEMBL3362372 | 0.74 | ESR1 (0.50) | CYP3A4IDO1CYP1A2CYP2D6PMP22 | |
| SCHEMBL22273532 | 0.74 | ALDH1A1 (0.32) | CYP3A4 | |
| SCHEMBL1515273 | 0.74 | TRPA1 (0.52) | IDO1 | |
| SCHEMBL5575524 | 0.74 | CYP3A4 (0.52) | CYP3A4IDO1APPCYP1A2CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4125554-A | Iodinated thiolcarbonates and method for use as radiographic contrast agents | ALCON LABORATORIES, INC. (US) | 1978-11-14 | — | — | US | claimed |
| CN-107847498-A | tetra-substituted olefin compound and use thereof | 卫材R&D管理有限公司 | 2018-03-27 | — | — | CN | disclosed |
| EP-2611771-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-4125554-A | Iodinated thiolcarbonates and method for use as radiographic contrast agents | ALCON LABORATORIES, INC. (US) | 1978-11-14 | — | — | US | disclosed |