Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8328123 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL8463145 | 0.88 | ALDH1A1 (0.36) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL8465314 | 0.85 | ALDH1A1 (0.33) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| Hydrochloric Acid SCHEMBL8323657 | 0.84 | ALDH1A1 (0.33) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL9057630 | 0.74 | — | — | |
| SCHEMBL9057642 | 0.73 | ALDH1A1 (0.33) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL9057639 | 0.73 | ALDH1A1 (0.33) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL7766882 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TP53MAPTMAPK1CHRM2 | |
| SCHEMBL8459694 | 0.72 | SRD5A1 (0.30) | — | |
| SCHEMBL8467008 | 0.72 | SRD5A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |