Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | TACR2 | P21452 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29178370 | 1.00 | CALM1 (0.39) | CALM1TMEM97SIGMAR1KDM4EF13A1 | |
| SCHEMBL29117249 | 0.88 | MMP3 (0.48) | PPARGPPARALMNAMMP2MMP3 | |
| SCHEMBL29117246 | 0.88 | MMP3 (0.48) | PPARGPPARALMNAMMP2MMP3 | |
| SCHEMBL29178413 | 0.85 | MMP2 (0.39) | ALDH1A1LMNAMMP2MMP3 | |
| SCHEMBL29178416 | 0.85 | MMP2 (0.39) | ALDH1A1LMNAMMP2MMP3 | |
| SCHEMBL29178414 | 0.85 | HDAC1 (0.44) | PPARAMMP2MMP3 | |
| SCHEMBL29178410 | 0.85 | HDAC1 (0.44) | PPARAMMP2MMP3 | |
| SCHEMBL29178348 | 0.82 | MMP2 (0.39) | CALM1MMP2MMP3SPHK1 | |
| SCHEMBL29178313 | 0.79 | MPO (0.38) | SLC6A4EGFRMMP2MMP3 | |
| SCHEMBL29178315 | 0.79 | MPO (0.38) | SLC6A4EGFRMMP2MMP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117561058-A | CDK2 inhibitors and methods of use thereof | 塞迪拉治疗股份有限公司 | 2024-02-13 | — | — | CN | disclosed |