Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | PGR | P06401 | 4/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1635633 | 1.00 | CYP19A1 (0.48) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL369752 | 0.81 | CYP3A4 (0.66) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL29882740 | 0.81 | CYP3A4 (0.66) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL18402585 | 0.81 | CYP3A4 (0.66) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL13981881 | 0.81 | CYP3A4 (0.66) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL10896735 | 0.81 | CYP3A4 (0.66) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL1635631 | 0.77 | CYP3A4 (0.44) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL4753154 | 0.76 | ALDH1A1 (0.67) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL4751113 | 0.74 | SERPINA6 (0.67) | CYP19A1CYP3A4PGRARALDH1A1 | |
| SCHEMBL1635637 | 0.73 | ALDH1A1 (0.65) | CYP19A1CYP3A4PGRARALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236791-B2 | Assays for S100 inhibitors | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2012-08-07 | — | — | US | disclosed |
| US-20100216776-A1 | Assays for S100 inhibitors | ALBERT EINSTEIN COLLEGE OF MEDICINE | 2010-08-26 | — | — | US | disclosed |
| US-20100062437-A1 | PARALLEL PROFILLING OF SIGNALING PATHWAYS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY | 2010-03-11 | — | — | US | disclosed |
| WO-2008094410-A9 | PARALLEL PROFILING OF SIGNALING PATHWAYS | EINSTEIN COLL MED (US) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008094410-A2 | PARALLEL PROFILING OF SIGNALING PATHWAYS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008054354-A2 | ASSAYS FOR S1OO INHIBITORS | ALBERT EINSTEIN COLLEGE OF MEDECINE OF YESHIVA UNIVERSITY (US) | 2008-05-08 | — | — | WO | disclosed |