Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL11523233 | 0.88 | GRIN2D (0.41) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11317064 | 0.85 | TDP1 (0.55) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL9751826 | 0.83 | TDP1 (0.56) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11323719 | 0.83 | TSHR (0.52) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11563058 | 0.81 | CYP3A4 (0.61) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11523919 | 0.81 | TDP1 (0.50) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11321924 | 0.81 | TDP1 (0.50) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL8331984 | 0.80 | CYP3A4 (0.49) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11525022 | 0.80 | TDP1 (0.49) | TDP1TSHRCYP3A4MAPK1ALDH3A1 | |
| SCHEMBL11524844 | 0.78 | TDP1 (0.47) | TDP1TSHRCYP3A4MAPK1ALDH3A1 |
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-4136117-A | PREPARATION OF 2,6-DINITROANILINES | AMERICAN CYANAMID COMPANY (US) | 1979-01-23 | — | — | US | disclosed |
| US-3968138-A | HERBICIDE | UNITED STATES BORAX & CHEMICAL CORPORATION (US) | 1976-07-06 | — | — | US | disclosed |