Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | KRAS | P01116 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL5730350 | 0.86 | KMO (0.53) | HTR2AHTR2CPRMT5OXER1APP | |
| Ethoxycarbonyl Group SCHEMBL28746661 | 0.84 | HTR2A (0.44) | HTR2AHTR2CCDK4CCND1PRMT5 | |
| SCHEMBL8128124 | 0.83 | HTR2A (0.51) | HTR2AHTR2CCDK4CCND1PRMT5 | |
| SCHEMBL18856961 | 0.80 | HTR2A (0.58) | HTR2AHTR2CCDK4CCND1PRMT5 | |
| SCHEMBL18301155 | 0.79 | HTR2A (0.54) | HTR2AHTR2CPRMT5APPKRAS | |
| SCHEMBL6726048 | 0.77 | HTR2A (0.63) | HTR2AHTR2CCDK4CCND1PRMT5 | |
| SCHEMBL6087507 | 0.75 | HDAC8 (0.57) | HTR2AHTR2CCDK4CCND1APP | |
| SCHEMBL23956140 | 0.75 | HTR7 (0.62) | HTR2AHTR2CCDK4CCND1PRMT5 | |
| SCHEMBL31525736 | 0.74 | PLA2G4A (0.46) | APPHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4705937 | 0.74 | CDK4 (0.61) | HTR2AHTR2CCDK4CCND1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3307724-A1 | SELECTIVE ANTI-CANCER COMPOUNDS | National University of Singapore (SG) | 2018-04-18 | — | — | EP | disclosed |
| WO-2016200339-A1 | SELECTIVE ANTI-CANCER COMPOUNDS | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2016-12-15 | — | — | WO | disclosed |