Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.42 |
| ▸ | CCND1 | P24385 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4496269 | 0.73 | SMN1; SMN2 (0.44) | CDK4CCND1ALDH1A1MAPTCA12 | |
| SCHEMBL1958088 | 0.65 | ALDH1A1 (0.47) | CDK4CCND1ALDH1A1MAPTCA12 | |
| SCHEMBL29769929 | 0.65 | ALDH1A1 (0.47) | CDK4CCND1ALDH1A1MAPTCA12 | |
| SCHEMBL18346340 | 0.61 | CA12 (0.34) | CDK4CCND1ALDH1A1MAPTCA12 | |
| SCHEMBL22367052 | 0.61 | CA12 (0.47) | CDK4CCND1ALDH1A1MAPTCA12 | |
| SCHEMBL18379331 | 0.59 | CDK4 (0.54) | CDK4CCND1ALDH1A1L3MBTL1HTR2A | |
| SCHEMBL11787645 | 0.59 | CDK4 (0.54) | CDK4CCND1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL11366447 | 0.59 | CDK4 (1.00) | CDK4CCND1ALDH1A1HTR2AHTR2C | |
| SCHEMBL155310 | 0.58 | CDK4 (0.52) | CDK4CCND1ALDH1A1L3MBTL1HTR2A | |
| SCHEMBL30330111 | 0.58 | CDK4 (0.52) | CDK4CCND1ALDH1A1L3MBTL1HTR2A |
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-2016207910-A1 | N, C-CHELATE FOUR-COORDINATE ORGANOBORONS WITH FULL COLOURTUNABILITY | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-12-29 | — | — | WO | claimed |