Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 4/20 | 0.39 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | 1.00 | EGFR (0.39) | EGFRKDRMAPTTP53HDAC3 | |
| SCHEMBL2990954 | 0.88 | TACR1 (0.40) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2990961 | 0.88 | TACR1 (0.40) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6528368 | 0.85 | HDAC3 (0.35) | KDRMAPTHDAC3HDAC1HDAC6 | |
| SCHEMBL5147793 | 0.81 | ALDH1A1 (0.39) | MAPTKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5147745 | 0.81 | HDAC3 (0.41) | EGFRKDRMAPTHDAC3HDAC1 | |
| SCHEMBL7260724 | 0.79 | EGFR (0.39) | EGFRKDRMAPTTP53HDAC3 | |
| SCHEMBL7260720 | 0.78 | MAPT (0.39) | EGFRKDRMAPTTP53MAPK1 | |
| SCHEMBL5147754 | 0.76 | NPR3 (0.39) | MAPTHDAC3HDAC1HDAC6ITGB1 | |
| SCHEMBL3833591 | 0.75 | ITGB1 (0.40) | MAPTHDAC3HDAC1HDAC6ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1370531-A1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | Celltech R & D Limited (GB) | 2003-12-17 | — | — | EP | disclosed |
| WO-2002068393-A1 | PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS | CELLTECH R & D LIMITED (GB) | 2002-09-06 | — | — | WO | disclosed |