Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27515794 | 1.00 | NOS1 (0.51) | NOS1DHFR | |
| Bromide SCHEMBL7166635 | 0.98 | NOS1 (0.50) | NOS1DHFR | |
| SCHEMBL64146 | 0.86 | NOS1 (0.54) | NOS1DHFR | |
| SCHEMBL30435493 | 0.86 | NOS1 (0.54) | NOS1DHFR | |
| SCHEMBL31143797 | 0.86 | NOS1 (0.54) | NOS1DHFR | |
| Bromide SCHEMBL1116048 | 0.85 | NOS1 (0.52) | NOS1DHFR | |
| Bromide SCHEMBL29695506 | 0.85 | NOS1 (0.52) | NOS1DHFR | |
| Bromide SCHEMBL2553255 | 0.85 | NOS1 (0.52) | NOS1DHFR | |
| Bromide SCHEMBL30761717 | 0.85 | NOS1 (0.52) | NOS1DHFR | |
| Bromide SCHEMBL29515501 | 0.85 | NOS1 (0.52) | NOS1DHFR |
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-114456170-B | Preparation method of stable isotope labeled methotrexate internal standard reagent | 谱同生物医药科技(常州)有限公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-114456170-A | Preparation method of stable isotope labeling methotrexate internal standard reagent | 谱同生物医药科技(常州)有限公司 | 2022-05-10 | — | — | CN | disclosed |