Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL27768044 | 0.95 | ALDH1A1 (0.49) | ALDH1A1RAB9AKCNA3EPHX1MAPT | |
| Sulfurous Acid SCHEMBL27768182 | 0.90 | ALDH1A1 (0.44) | ALDH1A1RAB9AKCNA3EPHX1MAPT | |
| SCHEMBL28248578 | 0.72 | RAB9A (0.55) | ALDH1A1RAB9AEPHX1EPHX2FAAH | |
| SCHEMBL4812 | 0.71 | RAB9A (0.54) | ALDH1A1RAB9AEPHX1EPHX2FAAH | |
| Phenylacetic Acid SCHEMBL27770065 | 0.69 | EPHX2 (0.59) | ALDH1A1RAB9AKCNA3EPHX1EPHX2 | |
| Enpromate SCHEMBL4811 | 0.69 | RAB9A (0.54) | ALDH1A1RAB9AEPHX1EPHX2KMT2A | |
| SCHEMBL13348713 | 0.67 | EPHX1 (0.51) | ALDH1A1RAB9AEPHX1EPHX2KMT2A | |
| SCHEMBL6928586 | 0.67 | HDAC3 (0.54) | ALDH1A1RAB9AEPHX1EPHX2KMT2A | |
| SCHEMBL20695797 | 0.67 | ALDH1A1 (0.47) | ALDH1A1RAB9AEPHX1MAPTEPHX2 | |
| SCHEMBL23143221 | 0.66 | DRD2 (0.48) | ALDH1A1RAB9AKCNA3MAPTEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101616916-B | Crystalline forms of 8-azabicyclo [3.2.1] octane compounds | THERAVANCE INC | 2011-10-12 | — | — | CN | disclosed |
| CN-101616916-A | Crystalline forms of 8-azabicyclo [3.2.1] octane compounds | THERAVANCE INC | 2009-12-30 | — | — | CN | disclosed |