Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 6/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | TOP1 | P11387 | 1/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13146779 | 0.79 | ALDH1A1 (0.56) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL2317703 | 0.71 | ALDH1A1 (0.47) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL2317701 | 0.71 | ALDH1A1 (0.47) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL12431489 | 0.71 | ALDH1A1 (0.47) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL29365374 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL378958 | 0.71 | ALDH1A1 (1.00) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL28394403 | 0.71 | ALDH1A1 (0.61) | KMT2AMAPTALDH1A1HTTMEN1 | |
| Hydrochloric Acid SCHEMBL3237768 | 0.70 | ALDH1A1 (0.46) | KMT2AMAPTALDH1A1HTTTP53 | |
| Hydrochloric Acid SCHEMBL3237774 | 0.70 | ALDH1A1 (0.46) | KMT2AMAPTALDH1A1HTTTP53 | |
| SCHEMBL3438418 | 0.70 | ALDH1A1 (0.53) | KMT2AMAPTALDH1A1HTTTP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106890174-A | Small molecule heterocyclic compound based on curcumin structure and its application for preparing antineoplastic | 河南工业大学 | 2017-06-27 | — | — | CN | disclosed |