Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6960130 | 0.94 | ALDH1A1 (0.45) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL18040632 | 0.82 | CA2 (0.39) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL15297890 | 0.76 | CES1 (0.44) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL15297897 | 0.74 | ALDH1A1 (0.46) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL7703260 | 0.74 | CES1 (0.42) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL8676355 | 0.74 | CA1 (0.47) | CA2CES1CES2ALDH1A1TSHR | |
| SCHEMBL15297887 | 0.72 | HPGD (0.49) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL11111535 | 0.71 | CES2 (0.52) | CA2CES1CES2HPGDMAPT | |
| SCHEMBL15297896 | 0.71 | ALDH1A1 (0.51) | CA2CA4CES1CES2ALDH1A1 | |
| SCHEMBL15297906 | 0.71 | ALDH1A1 (0.40) | CA2CA4CES1CES2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0866705-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-03-03 | — | — | EP | disclosed |
| EP-0866705-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997014417-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |