Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8882126 | 1.00 | TP53 (0.34) | TP53MDM2CES2ALDH1A1L3MBTL1 | |
| SCHEMBL7272818 | 1.00 | TP53 (0.34) | TP53MDM2CES2ALDH1A1L3MBTL1 | |
| SCHEMBL9696729 | 1.00 | TP53 (0.34) | TP53MDM2CES2ALDH1A1L3MBTL1 | |
| SCHEMBL9696668 | 0.86 | DHFR (0.33) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL9697798 | 0.86 | DHFR (0.33) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL2809476 | 0.84 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1MAPTTSHR | |
| SCHEMBL8170961 | 0.84 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1MAPTTSHR | |
| SCHEMBL11930533 | 0.84 | LMNA (0.36) | ALDH1A1L3MBTL1TSHRCYP2C9 | |
| SCHEMBL14256287 | 0.83 | HSD11B1 (0.40) | ALDH1A1L3MBTL1MAPTTSHRCYP3A4 | |
| SCHEMBL12327949 | 0.81 | MAPK1 (0.33) | ALDH1A1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483667-B1 | Cyclic imino derivatives, process for their preparation and drugs containing them | THOMAE GMBH DR K (DE) | 1998-02-04 | — | — | EP | disclosed |
| US-5591769-A | PYRROLIDINE DERIVATIVES; ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |
| US-5541343-A | ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS | KARL THOMAE GMBH (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0483667-A2 | Cyclic imino derivatives, process for their preparation and drugs containing them | Dr. Karl Thomae GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |