Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | ATM | Q13315 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30956737 | 0.84 | CYP1B1 (0.50) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL28932673 | 0.84 | CYP1B1 (0.50) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL5781338 | 0.83 | CA1 (0.48) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL1065287 | 0.83 | CASP3 (0.65) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL5781488 | 0.82 | ADRA1D (0.51) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL30956743 | 0.80 | ALDH1A1 (0.46) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL8089402 | 0.80 | CA1 (0.73) | CA1CA2CA9CA4MAPT | |
| SCHEMBL28932652 | 0.80 | ALDH1A1 (0.46) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL8078040 | 0.76 | CNR2 (0.69) | CA1CA2CA9CA4RAB9A | |
| SCHEMBL31540928 | 0.75 | RAB9A (0.59) | RAB9AMAPTKDM4ENPC1ATM |
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 |