Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 10/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8726060 | 0.84 | F2 (0.58) | F2HSD11B1PTGER4ALDH1A1SMN1; SMN2 | |
| SCHEMBL6475592 | 0.82 | F2 (0.47) | F2ALDH1A1CYP3A4CYP2C9PKM | |
| SCHEMBL6483649 | 0.76 | F2 (0.57) | F2ALDH1A1CYP3A4CYP2C9PKM | |
| SCHEMBL21696560 | 0.75 | CYP3A4 (0.49) | F2HSD11B1PTGER4ALDH1A1CYP3A4 | |
| SCHEMBL26787046 | 0.71 | PKM (0.51) | F2ALDH1A1CYP3A4CYP2C9PKM | |
| SCHEMBL5157785 | 0.71 | F2 (0.56) | F2PTGER4ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL5154461 | 0.71 | F2 (0.56) | F2PTGER4ALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL7706395 | 0.71 | ALDH1A1 (0.55) | F2ALDH1A1CYP3A4CYP2C9PKM | |
| SCHEMBL8723789 | 0.70 | F2 (0.52) | F2ALDH1A1SMN1; SMN2 | |
| SCHEMBL7049069 | 0.69 | ALDH1A1 (0.59) | F2ALDH1A1SMN1; SMN2CYP3A4CYP2C9 |
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-0873356-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-28 | — | — | EP | disclosed |
| WO-1996025426-A9 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | — | 1997-06-12 | — | — | WO | disclosed |
| WO-1996025426-A1 | NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-22 | — | — | WO | disclosed |