Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 12/20 | 0.35 |
| ▸ | TP53 | P04637 | 8/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 8/20 | 0.33 |
| ▸ | NPC1 | O15118 | 7/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL14844238 | 0.83 | SMN1; SMN2 (0.38) | SMN1; SMN2TP53THRBRAB9ANPC1 | |
| SCHEMBL2595283 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2TP53THRBRAB9ANPC1 | |
| SCHEMBL2579228 | 0.77 | MAPT (0.39) | SMN1; SMN2TP53THRBRAB9ANPC1 | |
| SCHEMBL2579226 | 0.77 | MAPT (0.39) | SMN1; SMN2TP53THRBRAB9ANPC1 | |
| SCHEMBL2593232 | 0.74 | SMN1; SMN2 (0.41) | SMN1; SMN2TP53RAB9ANPC1MAPT | |
| SCHEMBL2595492 | 0.68 | SMN1; SMN2 (0.36) | SMN1; SMN2RAB9AMAPTLMNACYP1A2 | |
| SCHEMBL2595298 | 0.68 | SMN1; SMN2 (0.36) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1FABP4 | |
| SCHEMBL2596210 | 0.66 | SMN1; SMN2 (0.35) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL2596228 | 0.66 | SMN1; SMN2 (0.35) | SMN1; SMN2KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL29250547 | 0.65 | ALDH1A1 (0.45) | SMN1; SMN2RAB9AMAPTLMNAHTT |
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-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |