Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19969355 | 0.90 | NAMPT (0.54) | ALDH1A1MAOAMAOBBCHEADRA2B | |
| SCHEMBL11010091 | 0.87 | MAOA (0.52) | ALDH1A1MAOAMAOBBCHEADRA2B | |
| Hydrochloric Acid SCHEMBL9725935 | 0.86 | MAOA (0.51) | ALDH1A1MAOAMAOBBCHEADRA2B | |
| SCHEMBL10394947 | 0.82 | ACHE (0.53) | MAOAMAOBBCHEACHE | |
| SCHEMBL12269128 | 0.81 | HTR2C (0.55) | ALDH1A1MAOAMAOBBCHEADRA2B | |
| SCHEMBL23226905 | 0.81 | ALDH1A1 (0.59) | ALDH1A1HPGDNTRK1HTTKMT2A | |
| SCHEMBL11005532 | 0.80 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDHTTKMT2A | |
| Hydrochloric Acid SCHEMBL11012783 | 0.79 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHTTKMT2A | |
| SCHEMBL13911216 | 0.77 | MAOA (0.64) | MAOAMAOBBCHEADRA2BADRA2C | |
| SCHEMBL172262 | 0.77 | MAOA (0.64) | MAOAMAOBBCHEADRA2BADRA2C |
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-1996036596-A1 | 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |