Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.62 |
| ▸ | MYLK | Q15746 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | MTOR | P42345 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | GMNN | O75496 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 3/20 | 0.49 |
| ▸ | CCR2 | P41597 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6793698 | 0.82 | PKM (0.89) | TSHRLMNAPKMMEN1KMT2A | |
| SCHEMBL568043 | 0.81 | ROCK1 (0.60) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| Hydrochloric Acid SCHEMBL9780283 | 0.80 | PKM (0.79) | TSHRLMNAPKMMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL567792 | 0.80 | ROCK2 (0.61) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| SCHEMBL1271163 | 0.77 | ROCK1 (1.00) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| SCHEMBL29351112 | 0.77 | ROCK1 (1.00) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| SCHEMBL567653 | 0.76 | ROCK1 (0.60) | ROCK1CYP3A4CYP2D6MYLKLMNA | |
| SCHEMBL9780183 | 0.76 | PKM (0.57) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| Hydrochloric Acid SCHEMBL30237215 | 0.76 | LMNA (1.00) | ROCK1CYP3A4CYP2D6MYLKTSHR | |
| Hydrochloric Acid SCHEMBL3691324 | 0.76 | LMNA (1.00) | ROCK1CYP3A4CYP2D6MYLKTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996040641-A1 | SULFONAMIDE DERIVATIVES AS CELL ADHESION MODULATORS | TANABE SEIYAKU CO., LTD. (JP) | 1996-12-19 | — | — | WO | disclosed |