Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11469646 | 0.92 | ESR1 (0.57) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL19822671 | 0.88 | RARB (0.53) | ALDH1A1HSD17B10HPGDSMN1; SMN2ESR1 | |
| SCHEMBL8082952 | 0.86 | LPL (0.45) | CA2PLK1ALDH1A1KDM4ELPL | |
| SCHEMBL28088652 | 0.83 | CA2 (0.46) | CA2CA1PLK1ALDH1A1HSD17B10 | |
| SCHEMBL83869 | 0.81 | CA2 (0.65) | CA2CA1PLK1ALDH1A1HSD17B10 | |
| SCHEMBL547838 | 0.80 | KCNH2 (0.60) | CA2CA1PLK1ALDH1A1HSD17B10 | |
| SCHEMBL20956952 | 0.80 | CA2 (0.50) | CA2CA1PLK1ALDH1A1HSD17B10 | |
| SCHEMBL3921598 | 0.80 | HTR2A (0.52) | CA2CA1PLK1ALDH1A1HSD17B10 | |
| SCHEMBL28642434 | 0.79 | ESR1 (0.57) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL9579395 | 0.79 | ESR1 (0.57) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 |
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-116693857-A | Compound containing multifunctional polysiloxane structure and application thereof | 烟台希尔德材料科技有限公司 | 2023-09-05 | — | — | CN | disclosed |
| EP-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |