Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 9/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 8/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL7396489 | 0.95 | BCHE (0.40) | CYP1A2SIRT2SIRT1BCHEACHE | |
| Hydrochloric Acid SCHEMBL9002723 | 0.95 | BCHE (0.40) | CYP1A2SIRT2SIRT1BCHEACHE | |
| SCHEMBL9002803 | 0.95 | CYP1A2 (0.39) | CYP1A2SIRT2SIRT1BCHEACHE | |
| Hydrochloric Acid SCHEMBL9003074 | 0.94 | CYP1A2 (0.39) | CYP1A2SIRT2SIRT1BCHEACHE | |
| SCHEMBL7392971 | 0.88 | BCHE (0.42) | SIRT2SIRT1BCHEACHECTSS | |
| SCHEMBL9002874 | 0.87 | F2 (0.40) | CYP1A2SIRT2SIRT1BCHEACHE | |
| SCHEMBL7395547 | 0.87 | CYP1A2 (0.41) | CYP1A2CTSSTGM2CASP1CTSB | |
| SCHEMBL7394423 | 0.84 | BCHE (0.42) | CYP1A2SIRT2SIRT1BCHEACHE | |
| SCHEMBL9002766 | 0.83 | BCHE (0.40) | CYP1A2SIRT2SIRT1BCHEACHE | |
| Hydrochloric Acid SCHEMBL7391915 | 0.83 | BCHE (0.42) | CYP1A2SIRT2SIRT1BCHEACHE |
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-5559232-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0641779-A1 | Novel 1-amidinopiperdines and 4-amidinomorpholines as aggregation inhibitions | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-08 | — | — | EP | disclosed |