Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.58 |
| ▸ | RELA | Q04206 | 5/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.53 |
| ▸ | TUBB | P07437 | 2/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2641826 | 1.00 | CYP1A2 (0.61) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL29905756 | 0.83 | CYP1A2 (0.65) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL7970832 | 0.82 | LOXL2 (0.45) | NPC1HPGDSMN1; SMN2NFE2L2MAPT | |
| SCHEMBL7970830 | 0.82 | LOXL2 (0.45) | NPC1HPGDSMN1; SMN2NFE2L2MAPT | |
| SCHEMBL26784184 | 0.81 | CYP1A2 (0.62) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL2879570 | 0.80 | NFE2L2 (0.52) | NFE2L2NQO2PTGS2ALOX5PTGS1 | |
| SCHEMBL2879571 | 0.80 | NFE2L2 (0.52) | NFE2L2NQO2PTGS2ALOX5PTGS1 | |
| SCHEMBL13400653 | 0.80 | CYP1A2 (0.61) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL19076282 | 0.79 | HDAC8 (0.49) | CYP1A2KDM4ENPC1HPGDRAB9A | |
| SCHEMBL12185880 | 0.77 | NQO2 (0.50) | CYP1A2KDM4ENPC1CYP3A4CYP2D6 |
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-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | claimed |
| WO-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | disclosed |