Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19850974 | 1.00 | CYP2D6 (0.51) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL9820720 | 1.00 | CYP2D6 (0.51) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL25740901 | 1.00 | CYP2D6 (0.51) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL14026665 | 0.91 | CYP2D6 (0.55) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL10280648 | 0.91 | CYP2D6 (0.55) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| Dimethylamine SCHEMBL8330226 | 0.87 | LMNA (0.53) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| Dimethylamine SCHEMBL8329069 | 0.87 | LMNA (0.53) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL692993 | 0.87 | CYP2D6 (0.50) | CYP2D6MC4RLMNASMN1; SMN2HTT | |
| SCHEMBL13597006 | 0.86 | DPP4 (0.49) | CYP2D6LMNASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1778435 | 0.80 | CCR5 (0.46) | CYP2D6MC4RLMNASMN1; SMN2HTT |
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-105461694-B | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2019-05-24 | — | — | CN | disclosed |
| CN-109776522-A | Substituted heteroaryl compound and combinations thereof and purposes | 广东东阳光药业有限公司 | 2019-05-21 | — | — | CN | disclosed |