Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL4176261 | 0.86 | MAPT (0.49) | MAPTMEN1KMT2AL3MBTL1POLB | |
| SCHEMBL31276651 | 0.86 | MAPT (0.49) | MAPTMEN1KMT2AL3MBTL1POLB | |
| SCHEMBL6251479 | 0.79 | TXNRD1 (0.50) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL17659043 | 0.79 | MAPT (0.50) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL31009373 | 0.79 | TXNRD1 (0.46) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL4625398 | 0.77 | TXNRD1 (0.51) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL24750297 | 0.76 | TXNRD1 (0.46) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL6252537 | 0.76 | ALDH1A1 (0.47) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL30768338 | 0.76 | TXNRD1 (0.46) | TXNRD1TXNRD3TXNRD2MAPTMEN1 | |
| SCHEMBL30330030 | 0.76 | TXNRD1 (0.50) | TXNRD1TXNRD3TXNRD2MAPTMEN1 |
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-0786459-B1 | Process for the preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INT RES (NL) | 2002-08-28 | — | — | EP | disclosed |
| US-5948909-A | BLOCKING; CYCLIZATION | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1999-09-07 | — | — | US | disclosed |
| EP-0786459-A1 | Process for the preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1997-07-30 | — | — | EP | disclosed |