Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28611344 | 1.00 | KDM4E (0.60) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL28017454 | 0.83 | KDM4E (0.59) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL8861385 | 0.81 | KDM4E (0.60) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL8861384 | 0.81 | KDM4E (0.60) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL19549091 | 0.81 | IDO1 (0.65) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL3250896 | 0.81 | IDO1 (0.65) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL28619493 | 0.80 | KDM4E (0.62) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL27295441 | 0.79 | KDM4E (0.57) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL27295439 | 0.79 | KDM4E (0.57) | KDM4EGAAMAPTALDH1A1RAB9A | |
| SCHEMBL6718145 | 0.79 | MEN1 (0.63) | KDM4EMAPTALDH1A1RAB9ANPC1 |
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-110041285-B | Preparation method of 2, 4, 5-trisubstituted oxazole compound | 大连理工大学 | 2021-08-20 | — | — | CN | disclosed |
| WO-2004022534-A1 | ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |