Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11986273 | 0.81 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL3264542 | 0.80 | CA1 (0.46) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10973567 | 0.79 | LMNA (0.59) | CA1CA2CA7CA9CA12 | |
| SCHEMBL11986372 | 0.79 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13210450 | 0.79 | CA1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5051560 | 0.77 | KDM4E (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13945731 | 0.76 | LTA4H (0.50) | CA1CA2ALDH1A1L3MBTL1TSHR | |
| SCHEMBL13923555 | 0.76 | PDE2A (0.42) | ALDH1A1L3MBTL1TSHRSLC6A4LMNA | |
| SCHEMBL14309703 | 0.76 | SLC22A12 (0.54) | CA1CA2CYP1A2ALDH1A1MAPT | |
| SCHEMBL8825867 | 0.74 | CA1 (0.39) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7553867-B2 | Furan or thiophene derivative and medicinal use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-30 | — | — | US | disclosed |