Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.45 |
| ▸ | GLS | O94925 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4957107 | 0.88 | GLS (0.55) | CREBBPGLSMAPTLMNACYP3A4 | |
| SCHEMBL4957116 | 0.88 | GLS (0.55) | CREBBPGLSMAPTLMNACYP3A4 | |
| SCHEMBL15069765 | 0.87 | CREBBP (0.60) | CREBBPGLSNPC1MAPTLMNA | |
| SCHEMBL27985924 | 0.83 | NPC1 (0.47) | CREBBPGLSNPC1MAPTLMNA | |
| Methane SCHEMBL27631694 | 0.83 | NPC1 (0.50) | CREBBPGLSNPC1MAPTLMNA | |
| SCHEMBL3872999 | 0.81 | L3MBTL1 (0.47) | CREBBPGLSNPC1MAPTTDP1 | |
| SCHEMBL8951215 | 0.81 | GLS (0.49) | CREBBPGLSNPC1MAPTLMNA | |
| SCHEMBL3610098 | 0.80 | MAPT (0.45) | CREBBPGLSNPC1MAPTLMNA | |
| SCHEMBL30516913 | 0.80 | MAPT (0.45) | CREBBPGLSNPC1MAPTLMNA | |
| SCHEMBL17678004 | 0.76 | GLS (0.48) | GLSNPC1MAPTLMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |