Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylhydroquinone SCHEMBL8945892 | 0.89 | ESR1 (0.40) | TP53PTPN11CA9S1PR3ESR1 | |
| SCHEMBL13579888 | 0.79 | TSHR (0.55) | TP53PTPN11CA9S1PR3HTT | |
| SCHEMBL8243911 | 0.77 | ESR1 (0.50) | TP53PTPN11CA9S1PR3HTT | |
| SCHEMBL4145608 | 0.77 | PTPN11 (0.51) | TP53PTPN11ALDH1A1KMT2APDE10A | |
| SCHEMBL29654165 | 0.76 | PTPN11 (0.58) | TP53PTPN11CA9S1PR3ALDH1A1 | |
| SCHEMBL12121011 | 0.76 | PTPN11 (0.58) | TP53PTPN11CA9S1PR3ALDH1A1 | |
| SCHEMBL11322929 | 0.74 | KMT2A (0.55) | PTPN11S1PR3HTTALDH1A1KMT2A | |
| SCHEMBL12121073 | 0.74 | SMN1; SMN2 (0.46) | TP53PTPN11S1PR3HTTALDH1A1 | |
| SCHEMBL4369286 | 0.74 | PTPN11 (0.56) | TP53PTPN11S1PR3TSHRPTPN1 | |
| SCHEMBL12121412 | 0.74 | KDM4E (0.47) | PTPN11S1PR3ALDH1A1TSHRKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5569727-A | REACTING A DIEPOXIDE WITH A DIISOCYANATE IN PRESENCE OF POLYMERIZATION CATALYST WHICH IS A COMPLEX OF LEWIS ACID AND LEWIS BASE AND BAKING | EUROPEAISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) | 1996-10-29 | — | — | US | disclosed |