Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ANPEP | P15144 | 2/20 | 0.35 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL80882 | 1.00 | KDM4E (0.37) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL20983466 | 0.98 | KDM4E (0.36) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| Hydrochloric Acid SCHEMBL82874 | 0.98 | KDM4E (0.36) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| SCHEMBL10895092 | 0.94 | KDM4E (0.42) | KDM4EALDH1A1ANPEPERAP2CYP1A2 | |
| SCHEMBL82949 | 0.91 | — | — | |
| SCHEMBL27707284 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL29464210 | 0.89 | METAP1 (0.37) | KDM4EALDH1A1MEN1MITFKMT2A | |
| SCHEMBL11204184 | 0.82 | CXCR4 (0.42) | KDM4EALDH1A1CYP1A2CYP2C19PARP1 | |
| SCHEMBL11890328 | 0.82 | ALDH1A1 (0.48) | KDM4EALDH1A1CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL82357 | 0.82 | MEN1 (0.31) | MEN1MITFKMT2ASOS1METAP1 |
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-101212903-B | Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity | SHIONOGI & CO | 2013-07-24 | — | — | CN | disclosed |
| CN-101212903-A | Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity | SMITHKLINE BEECHAM CORP (US) | 2008-07-02 | — | — | CN | disclosed |