Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27733497 | 0.86 | CYP2D6 (0.53) | CYP2D6ALDH1A1OPRL1CYP3A4POLB | |
| SCHEMBL6783745 | 0.84 | CYP2D6 (0.58) | CYP2D6ALDH1A1OPRL1CYP3A4POLB | |
| SCHEMBL3849168 | 0.84 | CYP2D6 (0.59) | CYP2D6ALDH1A1CYP3A4POLBHSD17B10 | |
| SCHEMBL4032706 | 0.81 | TSHR (0.57) | CYP2D6ALDH1A1OPRL1CYP3A4CYP2C9 | |
| SCHEMBL3498095 | 0.80 | CYP2D6 (0.56) | CYP2D6ALDH1A1OPRL1CYP3A4POLB | |
| SCHEMBL15387552 | 0.79 | BCHE (0.66) | CYP2D6ALDH1A1OPRM1OPRD1 | |
| SCHEMBL2694056 | 0.78 | CYP2D6 (0.54) | CYP2D6ALDH1A1OPRL1CYP3A4POLB | |
| SCHEMBL21287577 | 0.78 | KMT2A (0.57) | CYP2D6ALDH1A1CYP3A4POLBCYP2C9 | |
| SCHEMBL14081425 | 0.77 | CYP2D6 (0.56) | CYP2D6ALDH1A1OPRL1CYP3A4POLB | |
| SCHEMBL15320057 | 0.77 | OPRL1 (0.51) | CYP2D6ALDH1A1OPRL1CYP3A4POLB |
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-2054053-A1 | BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS | AiCuris GmbH & Co. KG (DE) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008022725-A1 | BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS | AICURIS GMBH & CO. KG (DE) | 2008-02-28 | — | — | WO | disclosed |