Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 7/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928992 | 0.79 | PDE7A (0.44) | PARP10PARP11PDE7A | |
| SCHEMBL12203798 | 0.77 | ALDH1A1 (0.36) | ALDH1A1BACE1ATMSMN1; SMN2LMNA | |
| SCHEMBL1814392 | 0.77 | BACE1 (0.51) | ALDH1A1BACE1ATMLMNAMAPT | |
| SCHEMBL7917580 | 0.76 | SMN1; SMN2 (0.33) | ALDH1A1ATMSMN1; SMN2LMNAMAPT | |
| SCHEMBL7925065 | 0.75 | ADRA2A (0.36) | ALDH1A1BACE1ABHD6PARP10PARP11 | |
| SCHEMBL14707613 | 0.74 | ABHD6 (0.32) | ALDH1A1ABHD6PARP10PARP11PDE7A | |
| SCHEMBL7920070 | 0.73 | ADRA2A (0.34) | ABHD6PARP10PARP11PDE7A | |
| SCHEMBL7917831 | 0.71 | PDE7A (0.34) | ABHD6PARP10PARP11PDE7A | |
| SCHEMBL15545247 | 0.70 | CES1 (0.41) | ABHD6PARP10PARP11 | |
| SCHEMBL30421685 | 0.70 | CES1 (0.41) | ABHD6PARP10PARP11 |
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 |
|---|---|---|---|---|---|---|---|
| US-8476274-B2 | Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators | MERCK SHARP & DOHME CORP. (US) | 2013-07-02 | — | — | US | disclosed |