Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.39 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2190798 | 0.82 | ALDH1A1 (0.53) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL2190802 | 0.82 | ALDH1A1 (0.53) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL23823400 | 0.79 | HCAR2 (0.45) | HCAR2KEAP1NFE2L2ALDH1A1HTT | |
| SCHEMBL27710952 | 0.78 | CHRNB2 (0.44) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL316937 | 0.77 | CHRNB2 (0.50) | ALDH1A1MAPTCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL6721 | 0.77 | CHRNB2 (0.50) | ALDH1A1MAPTCHRNB2CHRNA3CHRNA4 | |
| SCHEMBL8103057 | 0.77 | CHRNB2 (0.54) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL20211969 | 0.76 | CHRNB2 (0.34) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2609701 | 0.76 | TPSAB1 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1MAPT | |
| Ethane SCHEMBL27604108 | 0.75 | CHRNB2 (0.48) | ALDH1A1MAPTCHRNB2CHRNA3CHRNA4 |
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-101432011-A | Method for regulating neurotransmitter systems by inducing counteradaptation | ALEXANDER MICHALOW (US) | 2009-05-13 | — | — | CN | disclosed |
| CN-101065014-A | Method for regulating neurotransmitter systems by inducing counteradaptation | ALEXANDER MICHALOW (US) | 2007-10-31 | — | — | CN | disclosed |