Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TACR2 | P21452 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28771919 | 1.00 | SMN1; SMN2 (0.50) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL1539279 | 0.85 | SMN1; SMN2 (0.68) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL23496287 | 0.82 | ALDH1A1 (0.58) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL29690088 | 0.82 | TACR2 (0.67) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL28771925 | 0.82 | TACR2 (0.67) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL30002082 | 0.82 | PTPN1 (0.64) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL23496317 | 0.82 | PTPN1 (0.64) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL1224885 | 0.81 | ALDH1A1 (0.64) | SMN1; SMN2RAB9AALDH1A1TACR2HTT | |
| SCHEMBL988304 | 0.80 | RAB9A (0.60) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 | |
| SCHEMBL29690261 | 0.79 | PTPN1 (0.49) | SMN1; SMN2RAB9AALDH1A1TACR2PTPN1 |
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-114671815-B | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-114671815-A | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2022-06-28 | — | — | CN | disclosed |