Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9521814 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19ITGA4 | |
| SCHEMBL9490652 | 0.91 | MEN1 (0.40) | ITGA4ITGB7ALDH1A1LMNAMEN1 | |
| SCHEMBL10432053 | 0.91 | MEN1 (0.40) | ITGA4ITGB7ALDH1A1LMNAMEN1 | |
| SCHEMBL9520740 | 0.89 | ITGA4 (0.36) | ITGA4ITGB7ALDH1A1TBXAS1KMT2A | |
| SCHEMBL9491816 | 0.89 | ITGA4 (0.36) | ITGA4ITGB7ALDH1A1TBXAS1KMT2A | |
| SCHEMBL9520580 | 0.89 | GAA (0.37) | ITGA4ITGB7ALDH1A1KMT2AP2RX7 | |
| SCHEMBL9491001 | 0.89 | GAA (0.37) | ITGA4ITGB7ALDH1A1KMT2AP2RX7 | |
| SCHEMBL9520282 | 0.88 | P2RX7 (0.35) | ITGA4ITGB7ALDH1A1LMNAKMT2A | |
| SCHEMBL9492227 | 0.88 | P2RX7 (0.35) | ITGA4ITGB7ALDH1A1LMNAKMT2A | |
| SCHEMBL9491888 | 0.87 | ITGA4 (0.37) | ITGA4ITGB7ALDH1A1MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5246950-A | Smooth muscle disorders | RHONE-POULENC SANTE (FR) | 1993-09-21 | — | — | US | disclosed |
| EP-0390693-B1 | THIOFORMAMIDE DERIVATIVES | RHONE-POULENC SANTE (FR) | 1993-08-25 | — | — | EP | disclosed |
| EP-0390693-A1 | Thioformamide derivatives | RHONE-POULENC SANTE (FR) | 1990-10-03 | — | — | EP | disclosed |