Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.61 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.44 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3831593 | 1.00 | HTR6 (0.61) | HTR6MMP2PGRALDH1A1LMNA | |
| SCHEMBL31391247 | 0.93 | LMNA (0.54) | HTR6MMP2PGRALDH1A1LMNA | |
| SCHEMBL3679487 | 0.93 | LMNA (0.54) | HTR6MMP2PGRALDH1A1LMNA | |
| SCHEMBL31668877 | 0.93 | LMNA (0.54) | HTR6MMP2PGRALDH1A1LMNA | |
| SCHEMBL15239367 | 0.89 | ALDH1A1 (0.51) | HTR6MMP2ALDH1A1LMNAATM | |
| SCHEMBL29799515 | 0.87 | LMNA (0.48) | HTR6MMP2PGRALDH1A1LMNA | |
| SCHEMBL28582400 | 0.85 | ALDH1A1 (0.59) | HTR6ALDH1A1LMNATHRBTSHR | |
| SCHEMBL9460854 | 0.84 | ALDH1A1 (0.59) | ALDH1A1LMNATHRBSMN1; SMN2MAPT | |
| SCHEMBL9459975 | 0.84 | EGFR (0.48) | HTR6ALDH1A1LMNAEGFRERBB2 | |
| SCHEMBL9140147 | 0.84 | HTR6 (0.78) | HTR6ALDH1A1LMNATHRBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-113831285-B | Liquid crystal thermal activity delay fluorescent material and application thereof | 常州大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-111471003-B | Preparation method of sitagliptin intermediate | 上海皓元医药股份有限公司 | 2022-09-23 | — | — | CN | disclosed |