Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 11/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL10033214 | 0.83 | CHRNB2 (0.56) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL7653261 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3241666 | 0.81 | CHRNA7 (0.63) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9943378 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL28510602 | 0.81 | CHRNB2 (0.54) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL1260922 | 0.79 | CHRNA7 (0.61) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9943360 | 0.79 | CHRNA7 (0.61) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL23741951 | 0.78 | CHRNA7 (0.56) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL18905503 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL17816126 | 0.77 | CA12 (0.53) | ALDH1A1MAPTNPC1TP53RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693520-A | Compounds with higher PKG (protein kinase G) inhibitory activity and preparation method of compounds | 天津键凯科技有限公司 | 2016-06-22 | — | — | CN | disclosed |
| CN-104610233-B | Compound with higher protein kinase G inhibition activity and preparation method thereof | 天津键凯科技有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-104610233-A | Compound with higher protein kinase G inhibition activity and preparation method thereof | JENKEM TECHNOLOGY CO LTD TIANJIN BRANCH | 2015-05-13 | — | — | CN | disclosed |
| EP-2253328-A1 | Cycloalkyl inhibitors of potassium channel function | Bristol-Myers Squibb Company (US) | 2010-11-24 | — | — | EP | disclosed |