Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RHOA | P61586 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | 0.75 | ERN1 (0.31) | MAPTKDM4ECYP3A4ALDH1A1 | |
| SCHEMBL9326981 | 0.74 | KDM4E (0.46) | MAPTNPSR1KDM4EBLMCYP3A4 | |
| SCHEMBL8016907 | 0.71 | — | — | |
| SCHEMBL665096 | 0.70 | TDP1 (0.34) | MAPTTDP1ALDH1A1LMNA | |
| SCHEMBL19279017 | 0.70 | ALDH1A1 (0.37) | MAPTKDM4ECYP3A4TSHRKMT2A | |
| SCHEMBL538186 | 0.70 | KDM4E (0.42) | NPSR1KDM4EBLMCYP3A4TSHR | |
| SCHEMBL7570150 | 0.70 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1329846 | 0.69 | KDM4E (0.41) | MAPTNPSR1KDM4EBLMCYP3A4 | |
| SCHEMBL90862 | 0.67 | KDM4E (0.34) | MAPTKDM4E | |
| SCHEMBL8529384 | 0.67 | PKM (0.34) | MAPTALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |