Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGAV | P06756 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 2/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7260722 | 0.85 | EGFR (0.39) | HDAC3HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL2990961 | 0.85 | TACR1 (0.40) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2990954 | 0.85 | TACR1 (0.40) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7260715 | 0.85 | EGFR (0.39) | HDAC3HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL5147793 | 0.79 | ALDH1A1 (0.39) | MAPTKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5147745 | 0.79 | HDAC3 (0.41) | HDAC3HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL6512181 | 0.77 | PPID (0.46) | CYP1A2CYP3A4ITGB3ITGAV | |
| SCHEMBL5147754 | 0.74 | NPR3 (0.39) | HDAC3HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL6131692 | 0.74 | ITGA4 (0.39) | HDAC3HDAC1HDAC6MAPTKDM4E | |
| SCHEMBL6131694 | 0.74 | ITGA4 (0.39) | HDAC3HDAC1HDAC6MAPTKDM4E |
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-1525204-A1 | PHENYLALANINE ENAMIDE DERIVATIVES | Celltech R & D Limited (GB) | 2005-04-27 | — | — | EP | disclosed |
| WO-2004007494-A1 | PHENYLALANINE ENAMIDE DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |
| EP-1332132-A2 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | Celltech R&D Limited (GB) | 2003-08-06 | — | — | EP | disclosed |
| WO-2001079173-A2 | ENAMINE DERIVATIVES AS CELL ADHESION MOLECULES | CELLTECH R & D LIMITED (GB) | 2001-10-25 | — | — | WO | disclosed |