Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.52 |
| ▸ | CA1 | P00915 | 5/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.52 |
| ▸ | CA9 | Q16790 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7348907 | 0.87 | CA12 (0.60) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL13306448 | 0.77 | CA12 (0.63) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL21601451 | 0.76 | CA12 (0.62) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL12651234 | 0.75 | CA12 (0.60) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL29653203 | 0.75 | CA12 (0.60) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL19782825 | 0.74 | CA12 (0.59) | CA12CA1CA2CA9LMNA | |
| SCHEMBL21017935 | 0.73 | CA1 (0.64) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL21601185 | 0.72 | CA12 (0.57) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL30189904 | 0.72 | CA12 (0.57) | CA12CA1CA2CA9LMNA | |
| SCHEMBL19783401 | 0.72 | CA12 (0.57) | CA12CA1CA2CA9LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912513-A1 | FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS | Merck & Co., Inc. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998000401-A1 | FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS | MERCK & CO., INC. (US) | 1998-01-08 | — | — | WO | disclosed |