Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.65 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8983360 | 0.93 | ALDH1A1 (0.69) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL28100288 | 0.93 | KMT2A (0.69) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL8926671 | 0.91 | ALDH1A1 (0.76) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL571511 | 0.91 | ALDH1A1 (0.76) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL29400029 | 0.91 | ALDH1A1 (0.76) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| Ethylenediamine SCHEMBL28097197 | 0.89 | KMT2A (0.73) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| Ethylenediamine SCHEMBL28097200 | 0.89 | KMT2A (0.73) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL7669357 | 0.88 | ALDH1A1 (0.71) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| Hydrochloric Acid SCHEMBL5793684 | 0.86 | ALDH1A1 (0.69) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL212173 | 0.86 | ALDH1A1 (0.79) | ALDH1A1KMT2APTK2BKDM4EHTT |
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-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |