Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL1594477 | 0.88 | ALDH1A1 (0.57) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL1593887 | 0.87 | ALDH1A1 (0.56) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL9966087 | 0.84 | KMT2A (0.46) | ALDH1A1MEN1KMT2AHTTL3MBTL1 | |
| SCHEMBL1593693 | 0.82 | ALDH1A1 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL1593840 | 0.80 | ALDH1A1 (0.54) | ALDH1A1EPHX2MEN1KMT2AHTT | |
| SCHEMBL9966059 | 0.79 | NPC1 (0.48) | ALDH1A1CYP1A2CYP2D6CYP2C9MEN1 | |
| SCHEMBL14412372 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9966063 | 0.77 | KMT2A (0.53) | ALDH1A1CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL9966057 | 0.77 | KMT2A (0.53) | ALDH1A1CYP1A2CYP2C9MEN1KMT2A | |
| SCHEMBL14960353 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007100851-A1 | THERAPEUTIC COMPOUNDS | HELICON THERAPEUTICS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |