Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9455858 | 0.98 | ROCK2 (0.39) | ROCK2ROCK1CDC42BPBCDC42BPAPDE10A | |
| SCHEMBL9456081 | 0.87 | FKBP1A (0.39) | ALDH1A1TSHRRAB9APOLBPKM | |
| Hydrochloric Acid SCHEMBL9455893 | 0.84 | ROCK2 (0.37) | ROCK2ROCK1CDC42BPBCDC42BPAPDE10A | |
| Hydrochloric Acid SCHEMBL9455843 | 0.83 | ROCK2 (0.39) | ROCK2ROCK1CDC42BPBCDC42BPAPDE10A | |
| SCHEMBL9455850 | 0.74 | AXL (0.36) | ALDH1A1HPGDLMNAKMT2A | |
| Hydrochloric Acid SCHEMBL9455887 | 0.72 | PKM (0.38) | ALDH1A1HPGDGAARAB9ALMNA | |
| SCHEMBL9455854 | 0.71 | TSHR (0.35) | ROCK2ROCK1CDC42BPBCDC42BPAPDE10A | |
| SCHEMBL9455799 | 0.70 | AGXT (0.30) | — | |
| SCHEMBL3180063 | 0.69 | HSP90AA1 (0.41) | ALDH1A1GAAMAPT | |
| SCHEMBL31922 | 0.68 | AGXT (0.49) | PDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5250527-A | Enzyme inhibitors; administering to reduce gastric acid secretion | SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-10-05 | — | — | US | disclosed |
| EP-0184322-A1 | Benzimidazoles | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1986-06-11 | — | — | EP | disclosed |