Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.31 |
| ▸ | GPR183 | P32249 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21169581 | 0.82 | CES1 (0.38) | CTBP2ALDH1A1L3MBTL1HDAC8HDAC6 | |
| SCHEMBL23963890 | 0.77 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1RAB9ANPC1HPGD | |
| SCHEMBL23395113 | 0.75 | SLC5A1 (0.40) | ALDH1A1L3MBTL1TDP1IDO1KMT2A | |
| SCHEMBL22432863 | 0.71 | CES1 (0.38) | ALDH1A1GPR183HDAC8HDAC6KMT2A | |
| SCHEMBL19119624 | 0.70 | CES1 (0.36) | ALDH1A1L3MBTL1HDAC3HDAC4HDAC1 | |
| SCHEMBL23905178 | 0.70 | PLA2G10 (0.39) | RAB9ANPC1SMN1; SMN2KMT2AGAA | |
| SCHEMBL25071468 | 0.69 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1HPGDTDP1 | |
| SCHEMBL18446031 | 0.68 | — | — | |
| SCHEMBL23845784 | 0.68 | CA2 (0.36) | CTBP2ALDH1A1RAB9ANPC1IDO1 | |
| SCHEMBL21235456 | 0.67 | GFER (0.32) | ALDH1A1TDP1 |
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-3549934-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | Celgene CAR LLC (BM) | 2019-10-09 | — | — | EP | disclosed |
| US-9977150-B2 | Second-order nonlinear optical compound and nonlinear optical element comprising the same | NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY (JP) | 2018-05-22 | — | — | US | disclosed |