Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21589946 | 0.82 | CA12 (0.50) | CA2CA4CA12CA1CA9 | |
| SCHEMBL28250849 | 0.78 | CES1 (0.48) | CA2CA4CA12CA1CA9 | |
| SCHEMBL10443502 | 0.77 | CES1 (0.52) | CA2CA4CA12CA1CA9 | |
| SCHEMBL7425582 | 0.77 | CA12 (0.45) | CA2CA4CA12CA1CA9 | |
| SCHEMBL8995168 | 0.76 | CES2 (0.50) | CA2CA4CA12CA1CA9 | |
| SCHEMBL828587 | 0.76 | TPH1 (0.55) | TSHRTDP1CYP3A4MAPTHSD17B10 | |
| SCHEMBL11004858 | 0.76 | CES1 (0.46) | CA2CA4CA12CA1CA9 | |
| SCHEMBL10423615 | 0.76 | CYP1A2 (0.51) | CA2CA4CA12CA1CA9 | |
| SCHEMBL27094740 | 0.76 | CYP1A2 (0.51) | CA2CA4CA12CA1CA9 | |
| SCHEMBL8932433 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4MAPTLMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996026939-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-06 | — | — | WO | disclosed |