Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 4/20 | 0.36 |
| ▸ | GSTM2 | P28161 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 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 | |
|---|---|---|---|---|
| SCHEMBL2416893 | 0.96 | ALDH1A1 (0.40) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL1398094 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL1347642 | 0.82 | PTGS2 (0.49) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL9453031 | 0.80 | PTGS2 (0.50) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL27613330 | 0.77 | MEN1 (0.42) | PTGS2ALDH1A1MAPTSMN1; SMN2MEN1 | |
| SCHEMBL8973221 | 0.77 | PTGS2 (0.49) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL2415981 | 0.77 | TDP1 (0.44) | ALDH1A1MAPTLMNASMN1; SMN2ABCG2 | |
| SCHEMBL23751353 | 0.76 | MEN1 (0.41) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL20787703 | 0.76 | TSHR (0.47) | PTGS2ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL7713273 | 0.76 | MEN1 (0.44) | PTGS2ALDH1A1MAPTSMN1; SMN2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5723452-A | Therapeutic benzonitriles | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |
| EP-0748311-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-18 | — | — | EP | disclosed |
| EP-0746542-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995023133-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995023134-A1 | THERAPEUTIC BENZONITRILES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-08-31 | — | — | WO | disclosed |