Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL11598440 | 0.91 | CYP3A4 (0.68) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL131412 | 0.87 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL21582 | 0.87 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL10336991 | 0.87 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL27393883 | 0.87 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL27371282 | 0.87 | TSHR (1.00) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL8331868 | 0.85 | TSHR (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL28869386 | 0.85 | TSHR (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL9785893 | 0.85 | CYP3A4 (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| Water SCHEMBL29287558 | 0.85 | TSHR (0.95) | CYP3A4TSHRALDH1A1MAPK1TDP1 |
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-106795117-A | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2017-05-31 | — | — | CN | disclosed |