Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | FBP1 | P09467 | 2/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11520070 | 0.88 | TDP1 (0.51) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11519649 | 0.86 | CYP3A4 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11520245 | 0.86 | CYP3A4 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521926 | 0.86 | TDP1 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521277 | 0.84 | MAPK1 (0.58) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11522207 | 0.83 | TDP1 (0.46) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521281 | 0.83 | CYP3A4 (0.76) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11518289 | 0.82 | TDP1 (0.76) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521966 | 0.76 | CYP3A4 (0.46) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11524078 | 0.76 | CYP3A4 (0.73) | TDP1CYP3A4MAPK1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4153730-A | 2,6-DINITRO-N-SUBSTITUTED ANILINES | ELI LILLY AND COMPANY (US) | 1979-05-08 | — | — | US | claimed |
| US-4153730-A | 2,6-DINITRO-N-SUBSTITUTED ANILINES | ELI LILLY AND COMPANY (US) | 1979-05-08 | — | — | US | disclosed |