Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL28126408 | 0.84 | CYP1A2 (0.37) | TSHRALDH1A1KMT2AALOX15 | |
| Nitrobenzene SCHEMBL27711092 | 0.82 | TSHR (0.48) | TSHRALDH1A1LMNAARMEN1 | |
| Nitrobenzene SCHEMBL28097576 | 0.82 | TDP1 (0.50) | TSHRALDH1A1LMNAARMEN1 | |
| Nitrobenzene SCHEMBL27556235 | 0.80 | TSHR (0.48) | TSHRALDH1A1LMNAARMEN1 | |
| Nitrobenzene SCHEMBL28765981 | 0.80 | TSHR (0.48) | TSHRALDH1A1LMNAARMEN1 | |
| SCHEMBL20594513 | 0.77 | TSHR (0.47) | TSHRALDH1A1MEN1KMT2AMAPT | |
| Nitrobenzene SCHEMBL27471209 | 0.77 | TSHR (0.67) | TSHRALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL20594414 | 0.76 | TSHR (0.45) | TSHRALDH1A1MAPTTDP1CYP3A4 | |
| Nitrobenzene SCHEMBL27687317 | 0.74 | TDP1 (0.48) | TSHRALDH1A1LMNAARMEN1 | |
| SCHEMBL27590576 | 0.72 | FOLH1 (0.36) | TSHR |
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-107231802-A | Heterocyclic derivatives and use thereof | 株式会社C&C新药研究所 | 2017-10-03 | — | — | CN | disclosed |