Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29690088 | 1.00 | TACR2 (0.67) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL7149581 | 0.86 | TACR2 (0.86) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL30880064 | 0.86 | TACR2 (0.86) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL23496287 | 0.85 | ALDH1A1 (0.58) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL414613 | 0.85 | TACR2 (0.70) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL1539279 | 0.85 | SMN1; SMN2 (0.68) | TACR2SMN1; SMN2RAB9AALDH1A1MAPT | |
| SCHEMBL988304 | 0.83 | RAB9A (0.60) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL15041903 | 0.82 | TACR2 (0.47) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL413789 | 0.82 | TACR2 (0.67) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 | |
| SCHEMBL29690004 | 0.82 | SMN1; SMN2 (0.50) | TACR2SMN1; SMN2RAB9AALDH1A1MEN1 |
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 3 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-117430570-A | Rhodamine acetic acid compound, and pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-23 | — | — | 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 |