Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.73 |
| ▸ | CA2 | P00918 | 3/20 | 0.73 |
| ▸ | CA9 | Q16790 | 3/20 | 0.73 |
| ▸ | CA4 | P22748 | 1/20 | 0.73 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5782961 | 0.85 | CA1 (0.70) | CA1CA2CA9CA4CA12 | |
| SCHEMBL5783029 | 0.84 | CA1 (0.69) | CA1CA2CA9CA4CA12 | |
| SCHEMBL11306933 | 0.81 | CA1 (0.60) | CA1CA2CA9CA4CA12 | |
| SCHEMBL11314968 | 0.81 | CA1 (0.63) | CA1CA2CA9CA4CA12 | |
| SCHEMBL8085887 | 0.80 | CA1 (0.50) | CA1CA2CA9CA4CA12 | |
| SCHEMBL11307275 | 0.80 | POLB (0.64) | CA1CA2CA9CA4CA12 | |
| SCHEMBL28932673 | 0.79 | CYP1B1 (0.50) | CA1CA2CA9CA4CA12 | |
| SCHEMBL30956737 | 0.79 | CYP1B1 (0.50) | CA1CA2CA9CA4CA12 | |
| SCHEMBL8091427 | 0.79 | CA1 (0.60) | CA1CA2CA9CA4CA12 | |
| SCHEMBL4235928 | 0.78 | ALDH1A1 (0.60) | CA1CA2CA9CA4CA12 |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |