Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.32 |
| ▸ | DHPS | P49366 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22913043 | 0.85 | TP53 (0.32) | SMN1; SMN2RAB9ATSHRMAPTALDH1A1 | |
| SCHEMBL21304204 | 0.84 | KDM4E (0.36) | SMN1; SMN2MEN1ALDH1A1KMT2ATP53 | |
| SCHEMBL24315743 | 0.82 | HSD17B1 (0.33) | SMN1; SMN2TSHRMAPTMEN1ALDH1A1 | |
| SCHEMBL23027657 | 0.82 | ENPP3 (0.31) | — | |
| SCHEMBL21662067 | 0.82 | ADORA2A (0.33) | NPC1RAB9ATSHRMAPTHTT | |
| SCHEMBL22923984 | 0.81 | HTT (0.30) | HTT | |
| SCHEMBL21662098 | 0.81 | ADORA2A (0.31) | ADORA2A | |
| SCHEMBL23203615 | 0.80 | AHR (0.36) | SMN1; SMN2NPC1RAB9AHTTAHR | |
| SCHEMBL21662066 | 0.80 | CD274 (0.31) | — | |
| SCHEMBL21861098 | 0.80 | MEN1 (0.33) | MEN1HTTKMT2A |
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-2021015497-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 엘티소재주식회사 | 2021-01-28 | — | — | WO | disclosed |