Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1747765 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747766 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747764 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747691 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747693 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL9595189 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL27865214 | 0.74 | MAPT (0.40) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747709 | 0.73 | CHRNB2 (0.42) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747708 | 0.73 | CHRNB2 (0.42) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 | |
| SCHEMBL1747706 | 0.73 | CHRNB2 (0.42) | ALDH1A1CHRNB2CHRNA4MAPTCYP3A4 |
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-7700656-B2 | Organic compounds | NOVARTIS AG (CH) | 2010-04-20 | — | — | US | disclosed |