Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | FABP6 | P51161 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Styrene SCHEMBL27602726 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2A6HPGDPIM1PIM3 | |
| Benzene SCHEMBL27417324 | 0.82 | FABP6 (0.36) | ALDH1A1HPGDLMNAKDM4EFABP6 | |
| Biphenyl SCHEMBL4173337 | 0.81 | KMT2A (0.39) | ALDH1A1HPGDKMT2ALMNAKDM4E | |
| Toluene SCHEMBL28499248 | 0.78 | TSHR (0.42) | ALDH1A1HPGDKMT2ALMNAKDM4E | |
| Phenol SCHEMBL15020204 | 0.78 | CA12 (0.42) | KMT2ATDP1FABP6 | |
| Iodobenzene SCHEMBL27431100 | 0.78 | FABP6 (0.33) | ALDH1A1KMT2AFABP6ALOX5 | |
| SCHEMBL969300 | 0.76 | — | — | |
| SCHEMBL80643 | 0.76 | — | — | |
| Benzaldehyde SCHEMBL11862136 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PPARGKMT2ALMNA | |
| SCHEMBL4198 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010061366-A1 | MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR | CORDEN PHARMA IP LIMITED (IE) | 2010-06-03 | — | — | WO | claimed |
| WO-2010061366-A1 | MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR | CORDEN PHARMA IP LIMITED (IE) | 2010-06-03 | — | — | WO | disclosed |
| WO-2010061366-A1 | MANUFACTURE OF BISOPROLOL AND INTERMEDIATES THEREFOR | CORDEN PHARMA IP LIMITED (IE) | 2010-06-03 | — | — | WO | disclosed |