Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 5/20 | 0.43 |
| ▸ | NTRK3 | Q16288 | 5/20 | 0.43 |
| ▸ | NTRK2 | Q16620 | 5/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCND3 | P30281 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22889917 | 0.80 | GSK3B (0.49) | NTRK1NTRK3NTRK2CHEK1HTR2A | |
| SCHEMBL20468107 | 0.80 | NOS1 (0.36) | NTRK1NTRK3NTRK2CHEK1CDK1 | |
| SCHEMBL3540306 | 0.79 | ITK (0.43) | NTRK1NTRK3NTRK2ITKCHEK1 | |
| SCHEMBL30362793 | 0.75 | KDM4E (0.48) | NTRK1NTRK3NTRK2ITKCHEK1 | |
| SCHEMBL8045852 | 0.73 | ITK (0.46) | NTRK1ITKHTR2AFADS1CDK1 | |
| SCHEMBL15134856 | 0.72 | MAP2K4 (0.51) | ITKCHEK1HTR2ACDK1CDK4 | |
| SCHEMBL14095607 | 0.72 | ITK (0.49) | ITKHTR2AFADS1METAP2MAP2K4 | |
| SCHEMBL11924701 | 0.71 | CHEK1 (0.55) | CHEK1CDK1CDK4CCNA2CCND1 | |
| SCHEMBL785649 | 0.71 | JAK2 (0.60) | NTRK1ITKHTR2AFADS1CDK1 | |
| SCHEMBL27834727 | 0.70 | KDR (0.48) | CHEK1CDK1CDK4CCNA2CCND1 |
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-2017176040-A1 | HETEROCYCLIC COMPOUND DECOMPOSING RAS AND USES THEREOF | 연세대학교 산학협력단 | 2017-10-12 | — | — | WO | disclosed |