Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 14/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 1/20 | 0.59 |
| ▸ | MMP9 | P14780 | 1/20 | 0.59 |
| ▸ | MMP8 | P22894 | 1/20 | 0.59 |
| ▸ | MMP13 | P45452 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3178116 | 0.84 | CHEK2 (0.78) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL2318980 | 0.83 | CHEK2 (1.00) | CHEK2NR4A2 | |
| SCHEMBL5219768 | 0.82 | NR4A2 (0.83) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL6125993 | 0.82 | CHEK2 (0.80) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL20982644 | 0.81 | NR4A2 (0.86) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL2617479 | 0.80 | KDM4E (0.71) | CHEK2KDM4EALDH1A1HPGDMMP2 | |
| SCHEMBL20982511 | 0.79 | MMP2 (0.78) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL1662761 | 0.79 | CHEK2 (0.93) | CHEK2KDM4EALDH1A1HPGDNR4A2 | |
| SCHEMBL5675969 | 0.79 | CHEK2 (0.81) | CHEK2KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL27765862 | 0.78 | CHEK2 (0.78) | CHEK2ALDH1A1HPGDKMT2ANR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9938243-B2 | Compounds for affinity chromatography and for extending the half-life of a therapeutic agent | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2018-04-10 | — | — | US | disclosed |