Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL28765981 | 0.85 | TSHR (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27687317 | 0.85 | TDP1 (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27556235 | 0.85 | TSHR (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27711092 | 0.85 | TSHR (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27530631 | 0.85 | TDP1 (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27801679 | 0.85 | TDP1 (0.48) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL27471209 | 0.82 | TSHR (0.67) | TDP1TSHRALDH1A1LMNACES2 | |
| Nitrobenzene SCHEMBL27798191 | 0.82 | TDP1 (0.44) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| Nitrobenzene SCHEMBL28178563 | 0.82 | TSHR (0.44) | TDP1TSHRL3MBTL1ALDH1A1LMNA | |
| SCHEMBL195882 | 0.82 | CYP1A2 (0.44) | TDP1TSHRL3MBTL1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884442-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-11-02 | — | — | CN | disclosed |