Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.60 |
| ▸ | ESR1 | P03372 | 8/20 | 0.60 |
| ▸ | NOS3 | P29474 | 2/20 | 0.58 |
| ▸ | NOS2 | P35228 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302496 | 0.89 | ESR1 (0.53) | ESR2ESR1NOS3NOS2CA12 | |
| SCHEMBL18099465 | 0.85 | ESR2 (0.46) | ESR2ESR1NOS3NOS2CA12 | |
| SCHEMBL15322435 | 0.81 | KMT2A (0.61) | NOS3NOS2MEN1KMT2AKDM4E | |
| SCHEMBL15322433 | 0.81 | KMT2A (0.61) | NOS3NOS2MEN1KMT2AKDM4E | |
| SCHEMBL4401206 | 0.81 | ESR2 (0.55) | ESR2ESR1NOS3NOS2MEN1 | |
| SCHEMBL13310223 | 0.80 | ESR1 (0.53) | ESR2ESR1CA12CA2CA9 | |
| SCHEMBL15073401 | 0.78 | NOS3 (0.52) | NOS3NOS2MEN1KMT2AKDM4E | |
| SCHEMBL4364091 | 0.77 | FURIN (0.61) | ESR2ESR1CA12CA1CA2 | |
| SCHEMBL8065345 | 0.77 | NOS3 (0.65) | ESR2ESR1NOS3NOS2CA12 | |
| SCHEMBL12260084 | 0.77 | FURIN (0.61) | ESR2ESR1CA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0457334-B1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO LTD (JP) | 1994-08-10 | — | — | EP | disclosed |
| US-5258542-A | Carbonates of acetylenic alcohols | NIPPON PAINT CO., LTD. (JP) | 1993-11-02 | — | — | US | disclosed |
| US-5194653-A | Useful in making heat resistant liquid crystalline polymers | NIPPON PAINT COMPANY, LIMITED (JP) | 1993-03-16 | — | — | US | disclosed |
| EP-0457334-A1 | Carbonates of acetylenic alcohols | NIPPON PAINT CO., LTD. (JP) | 1991-11-21 | — | — | EP | disclosed |