Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11576923 | 0.85 | TDP1 (0.59) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11520070 | 0.84 | TDP1 (0.51) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521926 | 0.83 | TDP1 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11518692 | 0.83 | TDP1 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11519649 | 0.83 | CYP3A4 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11520245 | 0.83 | CYP3A4 (0.50) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521277 | 0.81 | MAPK1 (0.58) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11521281 | 0.80 | CYP3A4 (0.76) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL11518289 | 0.79 | TDP1 (0.76) | TDP1CYP3A4MAPK1TSHRHCAR3 | |
| SCHEMBL14625529 | 0.75 | KCNA5 (0.39) | TSHRALDH1A1MAPTHPGDL3MBTL1 |
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 |