Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7304672 | 0.89 | ALDH1A1 (0.61) | ALDH1A1CYP2C19LMNAMAPTCPA1 | |
| SCHEMBL7304664 | 0.89 | ALDH1A1 (0.61) | ALDH1A1CYP2C19LMNAMAPTCPA1 | |
| SCHEMBL7296441 | 0.85 | CA1 (0.43) | ALDH1A1CYP2C19LMNAMAPTCA12 | |
| SCHEMBL7436053 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP2C19LMNAMAPTHTT | |
| SCHEMBL2623070 | 0.77 | MMP8 (0.43) | ALDH1A1CYP2C19LMNACPA1 | |
| SCHEMBL4125403 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP2C19LMNAMAPTHTT | |
| SCHEMBL7304734 | 0.73 | ALDH1A1 (0.54) | ALDH1A1CYP2C19LMNAMAPTHTT | |
| SCHEMBL18578814 | 0.72 | ALDH1A1 (0.58) | ALDH1A1CYP2C19LMNAMAPTHTT | |
| SCHEMBL7296011 | 0.72 | ALDH1A1 (0.55) | ALDH1A1CYP2C19LMNAMAPTHTT | |
| SCHEMBL7042336 | 0.71 | TP53 (0.56) | HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-5444083-A | DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE | EISAI CO., LTD. (JP) | 1995-08-22 | — | — | US | disclosed |
| EP-0381235-B1 | PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE | Eisai Co., Ltd. (JP) | 1993-07-28 | — | — | EP | disclosed |
| EP-0381235-A2 | Pyrrolidine compound and pharmaceutical use | Eisai Co., Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |