Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 6/20 | 0.51 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.51 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.51 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.51 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.51 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 2/20 | 0.49 |
| ▸ | BCR | P11274 | 2/20 | 0.49 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14640428 | 0.79 | ABL1 (0.49) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13708645 | 0.78 | RAB9A (0.70) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8660420 | 0.78 | RAB9A (0.70) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14640449 | 0.77 | KMT2A (0.53) | XDHMEN1KMT2ANPC1RAB9A | |
| SCHEMBL19445800 | 0.77 | MEN1 (0.57) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17254443 | 0.77 | MKNK1 (0.68) | XDHMKNK1MKNK2CHEK1 | |
| SCHEMBL27986244 | 0.76 | XDH (1.00) | XDHMKNK1MKNK2CASP3CHEK1 | |
| SCHEMBL28762635 | 0.75 | CCNC (0.65) | MKNK1MKNK2BMPR1BBMPR1ATGFBR1 | |
| SCHEMBL14082527 | 0.74 | NPC1 (0.69) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27986242 | 0.74 | MKNK1 (0.87) | XDHMKNK1MKNK2CASP3 |
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-104262246-B | A kind of 5-phenyl nicotinamide Bcr-Abl inhibitor and its preparation method and application | Xi''an Jiao Tong University (CN) | 2017-01-04 | — | — | CN | disclosed |
| CN-104262246-A | 5-phenylnicotinamide Bcr-Abl inhibitors as well as preparation method and application thereof | UNIV XI AN JIAOTONG | 2015-01-07 | — | — | CN | disclosed |