Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4992797 | 0.89 | PTPN1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8564886 | 0.89 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9712657 | 0.83 | KMT2A (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28423316 | 0.81 | CA12 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13607858 | 0.81 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16533989 | 0.81 | ALDH1A1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1505142 | 0.80 | ALDH1A1 (0.74) | ALDH1A1KMT2APTK2BLMNAMEN1 | |
| SCHEMBL28277529 | 0.80 | ALDH1A1 (0.54) | ALDH1A1KMT2APTK2BLMNAL3MBTL1 | |
| SCHEMBL10456761 | 0.79 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1672245 | 0.79 | CA12 (0.61) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103635460-B | Be used for the treatment of addicted compound | GILEAD SCIENCES, INC. (US) | 2016-03-16 | — | — | CN | disclosed |