Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8741660 | 0.83 | MIF (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1198451 | 0.79 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4742927 | 0.79 | CYP17A1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23343772 | 0.78 | ABCB11 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28343944 | 0.78 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10052129 | 0.78 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8276044 | 0.77 | CHRNA7 (0.38) | CA12CA2CA9CYP2C19ALDH1A1 | |
| SCHEMBL3645373 | 0.77 | ALDH1A1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20011556 | 0.77 | KDM4E (0.39) | CA12CA2ALDH1A1MMP1MMP13 | |
| SCHEMBL5488204 | 0.76 | AOC3 (0.58) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733044-A4 | COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1997-03-05 | — | — | EP | disclosed |
| EP-0733044-A1 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0649412-A4 | PHARMACEUTICAL PYRIDINE COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1995-07-05 | — | — | EP | disclosed |
| WO-1995015950-A1 | COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-06-15 | — | — | WO | disclosed |
| EP-0649412-A1 | PHARMACEUTICAL PYRIDINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1994000437-A1 | PHARMACEUTICAL PYRIDINE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-01-06 | — | — | WO | disclosed |