Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1075474 | 0.82 | TPMT (0.37) | TPMTALDH1A1ALOX15 | |
| SCHEMBL28278150 | 0.82 | TPMT (0.32) | TPMTALDH1A1ALOX15 | |
| SCHEMBL31166668 | 0.82 | TPMT (0.37) | TPMTALDH1A1ALOX15 | |
| SCHEMBL13287027 | 0.79 | ALDH1A1 (0.37) | TPMTALDH1A1ALOX15TP53 | |
| SCHEMBL29367522 | 0.79 | TTR (0.39) | TPMTALDH1A1ALOX15 | |
| SCHEMBL879357 | 0.79 | TTR (0.39) | TPMTALDH1A1ALOX15 | |
| SCHEMBL3371190 | 0.78 | TPMT (0.52) | TPMTALDH1A1ALOX15TP53 | |
| Hydrochloric Acid SCHEMBL23524594 | 0.77 | TTR (0.37) | TPMTALDH1A1ALOX15 | |
| SCHEMBL28283179 | 0.77 | TPMT (0.37) | TPMTALDH1A1TP53 | |
| SCHEMBL617323 | 0.76 | ALDH1A1 (0.37) | TPMTALDH1A1ALOX15 |
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-111184877-B | Nano contrast medium for electronic computer tomography imaging and preparation method thereof | 同济大学 | 2021-08-06 | — | — | CN | disclosed |
| CN-111184877-A | Nano contrast medium for electronic computer tomography imaging and preparation method thereof | 同济大学 | 2020-05-22 | — | — | CN | disclosed |