Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | AHR | P35869 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.52 |
| ▸ | TUBB | P07437 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2641776 | 1.00 | MAPT (0.61) | MAPTCYP1A2KDM4ECYP3A4NPC1 | |
| SCHEMBL18131686 | 0.86 | CYP1A1 (0.58) | MAPTCYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL18131687 | 0.86 | CYP1A1 (0.58) | MAPTCYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL18131694 | 0.86 | CYP1A1 (0.58) | MAPTCYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL5651581 | 0.81 | MAPT (0.82) | MAPTCYP1A2KDM4ECYP3A4NPC1 | |
| SCHEMBL5651577 | 0.81 | MAPT (0.82) | MAPTCYP1A2KDM4ECYP3A4NPC1 | |
| SCHEMBL2641840 | 0.79 | NFE2L2 (0.67) | MAPTCYP1A2KDM4ECYP3A4NPC1 | |
| SCHEMBL2641846 | 0.79 | NFE2L2 (0.67) | MAPTCYP1A2KDM4ECYP3A4NPC1 | |
| SCHEMBL502881 | 0.78 | — | — | |
| SCHEMBL29994942 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |