Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8491445 | 0.82 | RELA (0.42) | RELANQO1ESR1AHRMAOB | |
| SCHEMBL5252366 | 0.78 | NQO1 (0.70) | RELANQO1ESR1AHRSMN1; SMN2 | |
| SCHEMBL188568 | 0.75 | CHRNB2 (0.49) | NQO1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1539272 | 0.74 | SMN1; SMN2 (0.45) | NQO1SMN1; SMN2MAPTPOLBKDM4E | |
| SCHEMBL8441256 | 0.73 | HTT (0.44) | SMN1; SMN2MAPTPOLBMEN1ALDH1A1 | |
| SCHEMBL24628664 | 0.73 | APP (0.45) | NQO1MAOBMAPTALDH1A1NPC1 | |
| SCHEMBL1539286 | 0.71 | L3MBTL1 (0.47) | NQO1MAPTMEN1HTTKMT2A | |
| SCHEMBL9789496 | 0.70 | RELA (0.69) | RELANQO1ESR1AHRMAOB | |
| SCHEMBL9789501 | 0.70 | RELA (0.69) | RELANQO1ESR1AHRMAOB | |
| SCHEMBL27827200 | 0.69 | POLB (0.41) | SMN1; SMN2MAPTPOLBKDM4EHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999055703-A1 | 2-ALKYL-3-(HETERO)ARYL-8-AZABICYCLO[3.2.1]ALKANES AS PESTICIDES | ZENECA LIMITED (GB) | 1999-11-04 | — | — | WO | disclosed |