Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RXRA | P19793 | 3/20 | 0.43 |
| ▸ | RXRB | P28702 | 3/20 | 0.43 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22216639 | 0.95 | RARB (0.46) | KMT2AALDH1A1RXRARXRBPTPRB | |
| SCHEMBL24836153 | 0.88 | PARP10 (0.46) | KMT2AALDH1A1MEN1SMN1; SMN2NPC1 | |
| SCHEMBL20333729 | 0.85 | ITGB1 (0.40) | KMT2AALDH1A1MEN1CYP1A2POLB | |
| SCHEMBL20350468 | 0.85 | TSHR (0.47) | KMT2AALDH1A1PTPRBMEN1CYP1A2 | |
| SCHEMBL21602081 | 0.83 | PDCD1 (0.45) | ALDH1A1CYP1A2MAPTGAATSHR | |
| SCHEMBL20350718 | 0.81 | ALDH1A1 (0.50) | KMT2AALDH1A1RXRARXRBPTPRB | |
| SCHEMBL20350676 | 0.81 | FFAR1 (0.47) | ALDH1A1RXRARXRBKDM4EL3MBTL1 | |
| SCHEMBL20333378 | 0.81 | PTPN1 (0.43) | L3MBTL1SRD5A2 | |
| SCHEMBL24835822 | 0.80 | MME (0.40) | KMT2ARXRARXRBMAPK1TSHR | |
| SCHEMBL22216492 | 0.79 | ADRB3 (0.36) | ALDH1A1RXRARXRBMAPTRARB |
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-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |