Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.57 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.55 |
| ▸ | SOS1 | Q07889 | 7/20 | 0.54 |
| ▸ | PTPRA | P18433 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19846982 | 0.89 | HTR2A (0.68) | HTR2AGPR84SOS1KDM4ELMNA | |
| SCHEMBL10078148 | 0.89 | HTR2A (0.68) | HTR2AGPR84SOS1KDM4ELMNA | |
| SCHEMBL128685 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL10958198 | 0.88 | SCN9A (0.59) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL623336 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL456668 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL18029175 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL30381542 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL29405769 | 0.88 | KMT2A (0.66) | HTR2AGPR84SOS1PTPRAKDM4E | |
| SCHEMBL18427690 | 0.86 | HTR2A (0.51) | HTR2AGPR84SOS1PTPRAKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180037917-A1 | PROTECTING GROUP CHEMISTRY FOR CLEAN, REDUCTANT-FREE DYEING | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-02-08 | — | — | US | disclosed |
| WO-2012173846-A2 | PEPTIDOMIMETIC MACROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012021875-A1 | PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |