Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.39 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.39 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL9730632 | 0.83 | TSHR (0.38) | TSHRKDM6BALKBH2ALKBH3FTO | |
| SCHEMBL9197168 | 0.82 | TSHR (0.58) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9368471 | 0.79 | TSHR (0.47) | TSHRKDM6BALKBH2ALKBH3FTO | |
| SCHEMBL9622292 | 0.77 | ALDH1A1 (0.50) | TSHRALDH1A1CYP1A2CYP3A4CYP2C9 | |
| Phthalic Acid SCHEMBL27543991 | 0.74 | ALDH1A1 (0.54) | TSHRALDH1A1CYP3A4MAPTBLM | |
| Phthalic Acid SCHEMBL2196833 | 0.74 | ALDH1A1 (0.54) | TSHRALDH1A1CYP3A4MAPTBLM | |
| Phthalic Acid SCHEMBL2196835 | 0.74 | ALDH1A1 (0.54) | TSHRALDH1A1CYP3A4MAPTBLM | |
| Phthalic Acid SCHEMBL30474600 | 0.74 | ALDH1A1 (0.54) | TSHRALDH1A1CYP3A4MAPTBLM | |
| Phenylacetic Acid SCHEMBL27954342 | 0.73 | AKR1B1 (0.59) | TSHRALDH1A1MAPTCA2FKBP5 | |
| Phthalic Acid SCHEMBL11231292 | 0.73 | ALDH1A1 (0.52) | TSHRALDH1A1CYP3A4MAPTBLM |
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-5114954-A | ANTIINFLAMMATORY BENZYLSELENOBENZAMIDES FROM AMINOPYRIDINES AND PICOLYLAMINES | A. NATTERMANN & CIE. GMBH (DE) | 1992-05-19 | — | — | US | disclosed |