Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206644 | 0.82 | ALDH1A1 (0.49) | PARP1ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL6634491 | 0.78 | FASN (0.37) | PARP1ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL4696615 | 0.77 | PARP10 (0.41) | PARP1ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL11162254 | 0.75 | ALDH1A1 (0.61) | PARP1ALDH1A1CYP3A4SMN1; SMN2TDP1 | |
| SCHEMBL167910 | 0.73 | PARP1 (0.45) | PARP1AURKARPS6KB1 | |
| SCHEMBL9663911 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL11164493 | 0.70 | ALDH1A1 (0.45) | PARP1ALDH1A1TP53CYP3A4TSHR | |
| SCHEMBL161548 | 0.69 | ADRA1A (0.51) | ALDH1A1TP53TSHRNPC1RAB9A | |
| SCHEMBL28212021 | 0.69 | ADRA1A (0.51) | ALDH1A1TP53TSHRNPC1RAB9A | |
| SCHEMBL6383642 | 0.69 | ADRA1A (0.51) | ALDH1A1TP53TSHRNPC1RAB9A |
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-2008150231-A1 | NEW HETEROCYCLIC COMPOUNDS FOR TREATMENT OF RESPIRATORY, AIRWAY OR INFLAMMATORY DISORDERS | ASTRAZENECA AB (SE) | 2008-12-11 | — | — | WO | disclosed |
| EP-1521757-B1 | TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES | ASTRAZENECA AB (SE) | 2008-01-30 | — | — | EP | disclosed |
| CN-1370167-A | Novel bridged bispidine compounds for the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2002-09-18 | — | — | CN | disclosed |