Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 10/20 | 0.67 |
| ▸ | GSK3B | P49841 | 10/20 | 0.67 |
| ▸ | CDK1 | P06493 | 9/20 | 0.67 |
| ▸ | CCNB2 | O95067 | 8/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 8/20 | 0.67 |
| ▸ | CCNB3 | Q8WWL7 | 8/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2788889 | 0.82 | GSK3A (0.60) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL490379 | 0.80 | GSK3A (1.00) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL490764 | 0.80 | GSK3A (1.00) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL2786751 | 0.80 | CCNB2 (0.49) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL857278 | 0.69 | CCNB2 (0.68) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL1778360 | 0.64 | GSK3A (0.65) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL10341448 | 0.63 | MET (0.50) | KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL29501702 | 0.63 | MET (0.50) | KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3327536 | 0.62 | DHODH (0.50) | KDM4ECYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL1778259 | 0.62 | GSK3A (0.67) | GSK3AGSK3BCDK1CCNB2CCNB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010046215-A2 | DIAZA-INDOLE DERIVATIVES AND THEIR USE AS FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-04-29 | — | — | WO | disclosed |