Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.36 |
| ▸ | RELA | Q04206 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29401627 | 0.67 | PTPN22 (0.65) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL374807 | 0.67 | PTPN22 (0.65) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL8735056 | 0.66 | PTPN22 (0.58) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL1840828 | 0.65 | PTPN22 (0.62) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL9060860 | 0.65 | PTPN22 (0.62) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL5155985 | 0.65 | PTPN22 (0.62) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL29986541 | 0.64 | PTPN22 (0.56) | LDHAABCG2MEN1MAPTKMT2A | |
| SCHEMBL4441768 | 0.64 | PTPN22 (0.56) | LDHAABCG2MEN1MAPTKMT2A | |
| Sulfur Dioxide SCHEMBL20526198 | 0.64 | PTPN22 (0.56) | LDHATDP1PTPN22HSD17B10 | |
| SCHEMBL24193393 | 0.63 | NFKB1 (0.56) | CYP19A1SMN1; SMN2NFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010018458-A2 | PHENOL DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2010-02-18 | — | — | WO | claimed |
| WO-2010018458-A2 | PHENOL DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2010-02-18 | — | — | WO | disclosed |