Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL10616914 | 0.80 | KIF11 (0.48) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL1921455 | 0.78 | EPHX2 (0.56) | KIF11EPHX2CA1CA2RAB9A | |
| SCHEMBL394422 | 0.78 | EPHX2 (0.56) | KIF11EPHX2CA1CA2RAB9A | |
| SCHEMBL63468 | 0.76 | ALDH1A1 (0.67) | KIF11EPHX2ALDH1A1TSHR | |
| SCHEMBL31189100 | 0.76 | ALDH1A1 (0.33) | ALDH1A1TSHRPTGS1 | |
| SCHEMBL31189101 | 0.76 | ALDH1A1 (0.33) | ALDH1A1TSHRPTGS1 | |
| SCHEMBL9622227 | 0.76 | KIF11 (0.54) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL18752561 | 0.75 | KIF11 (0.59) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL1776928 | 0.74 | KIF11 (0.52) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL9725672 | 0.74 | KIF11 (0.52) | KIF11EPHX2CA1CA2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110305045-A | A kind of amides compound and its purposes in treating cancer | 成都海创药业有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-102099335-A | Heterocyclic antiviral compounds | HOFFMANN LA ROCHE | 2011-06-15 | — | — | CN | disclosed |
| CN-101440090-B | 2-(6'-imine pyridinyl) benzoxazole metal complexes, as well as preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2011-01-26 | — | — | CN | disclosed |
| CN-101440090-A | 2-(6'-imine pyridinyl) benzoxazole metal complexes, as well as preparation method and application thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2009-05-27 | — | — | CN | disclosed |