Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11527037 | 0.89 | TDP1 (0.43) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11525022 | 0.88 | TDP1 (0.49) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11524844 | 0.86 | TDP1 (0.47) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL20472406 | 0.83 | TDP1 (0.60) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11317064 | 0.83 | TDP1 (0.55) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL9751826 | 0.81 | TDP1 (0.56) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11523364 | 0.81 | TDP1 (0.52) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11321924 | 0.78 | TDP1 (0.50) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL8331984 | 0.78 | CYP3A4 (0.49) | TDP1TSHRCYP3A4MAPK1ALDH1A1 | |
| SCHEMBL11323719 | 0.75 | TSHR (0.52) | TDP1TSHRCYP3A4MAPK1ALDH1A1 |
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-4136117-A | PREPARATION OF 2,6-DINITROANILINES | AMERICAN CYANAMID COMPANY (US) | 1979-01-23 | — | — | US | disclosed |