Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | TSHR | P16473 | 7/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4893558 | 0.88 | ALDH1A1 (0.70) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL2458287 | 0.87 | TSHR (0.65) | ALDH1A1TSHRTDP1L3MBTL1TP53 | |
| SCHEMBL8436890 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL16047119 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| Potassium Ion SCHEMBL39638 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL4881844 | 0.82 | TSHR (0.62) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL19066309 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL112063 | 0.81 | ALDH1A1 (1.00) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 | |
| SCHEMBL11165329 | 0.80 | ALDH1A1 (0.68) | ALDH1A1TSHRTDP1CYP3A4TP53 | |
| SCHEMBL11111735 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1L3MBTL1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162320-A | 1,4-BIS(ALKYLAMINO)-2,3-DIAZA-ANTHRACENE-9,10-DIONES | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1992-11-10 | — | — | US | disclosed |
| US-5125960-A | Pre- and postemergence | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |
| EP-0173320-A1 | Substituted carbonylphenylsulfonyl guanidines | BAYER AG (DE) | 1986-03-05 | — | — | EP | disclosed |