Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM6B | O15054 | 1/20 | 0.31 |
| ▸ | TET3 | O43151 | 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 | |
|---|---|---|---|---|
| SCHEMBL243030 | 0.92 | — | — | |
| SCHEMBL29351542 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27833850 | 0.90 | — | — | |
| SCHEMBL29958374 | 0.90 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL26604923 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ACASP1CASP7 | |
| SCHEMBL10910449 | 0.73 | MEN1 (0.44) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL7668161 | 0.72 | — | — | |
| SCHEMBL3605540 | 0.72 | — | — | |
| SCHEMBL1043080 | 0.72 | — | — | |
| Formaldehyde SCHEMBL5802591 | 0.72 | NOS3 (0.57) | ALDH1A1LMNACYP3A4KDM4EMAPK1 |
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-104780760-A | Antimicrobial compositions comprising iron chelators | ARCH CHEM INC | 2015-07-15 | — | — | CN | disclosed |