Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.48 |
| ▸ | IL1RN | P18510 | 1/20 | 0.48 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | BCAT1 | P54687 | 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 | |
|---|---|---|---|---|
| SCHEMBL16720613 | 0.82 | LMNA (0.42) | ALDH1A1KMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL16720323 | 0.77 | PGR (0.46) | ALDH1A1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL16720524 | 0.77 | PKM (0.41) | CA2MMP2PKMALDH1A1LMNA | |
| SCHEMBL5169740 | 0.72 | CYP2C9 (0.45) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2084284 | 0.71 | ATM (0.51) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL992761 | 0.71 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL29653769 | 0.71 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL798074 | 0.71 | CA1 (0.64) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL7115197 | 0.69 | LMNA (0.53) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL16720141 | 0.69 | ALDH1A1 (0.53) | CA1CA2MMP1MMP2MMP9 |
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-109422748-A | The method for synthesizing TNNI3K inhibitor | 南京理工大学 | 2019-03-05 | — | — | CN | disclosed |
| EP-3068758-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | The Wistar Institute Of Anatomy And Biology (US) | 2016-09-21 | — | — | EP | disclosed |
| WO-2015073864-A1 | EBNA1 INHIBITORS AND THEIR METHOD OF USE | THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) | 2015-05-21 | — | — | WO | disclosed |