Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7470832 | 0.78 | ERN1 (0.31) | ALDH1A1 | |
| SCHEMBL8016907 | 0.74 | — | — | |
| SCHEMBL9775971 | 0.73 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1650784 | 0.70 | MAPT (0.44) | ALDH1A1 | |
| SCHEMBL64072 | 0.69 | CYP3A4 (0.33) | ALDH1A1 | |
| SCHEMBL28920099 | 0.69 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL27372659 | 0.68 | — | — | |
| SCHEMBL7413687 | 0.68 | — | — | |
| SCHEMBL28819045 | 0.67 | CYP3A4 (0.32) | ALDH1A1 | |
| SCHEMBL9627673 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998034113-A1 | COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | claimed |
| WO-1998019693-A1 | COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-05-14 | — | — | WO | claimed |
| EP-1181279-A4 | DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | TORREY PINES INST (US) | 2002-09-25 | — | — | EP | disclosed |
| EP-1181279-A1 | DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000069830-A1 | DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 2000-11-23 | — | — | WO | disclosed |
| WO-1998034113-A1 | COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998019693-A1 | COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN | TREGA BIOSCIENCES, INC. (US) | 1998-05-14 | — | — | WO | disclosed |