Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788746 | 0.93 | SMN1; SMN2 (0.40) | ATMCYP26A1SMN1; SMN2CTSAALDH1A1 | |
| SCHEMBL7789604 | 0.91 | ALDH1A1 (0.35) | CYP26A1CTSAALDH1A1POLBITGB3 | |
| SCHEMBL7191718 | 0.85 | ALDH1A1 (0.36) | ATMCYP26A1SMN1; SMN2CTSAALDH1A1 | |
| SCHEMBL7194808 | 0.85 | F10 (0.42) | SMN1; SMN2LMNAALDH1A1ITGB3ITGA2B | |
| SCHEMBL7194899 | 0.85 | ITGB3 (0.44) | CYP26A1SMN1; SMN2CTSALMNAALDH1A1 | |
| SCHEMBL7789969 | 0.85 | CYP26A1 (0.42) | CYP26A1SMN1; SMN2CTSALMNAALDH1A1 | |
| SCHEMBL7195679 | 0.84 | F10 (0.38) | LMNAALDH1A1ITGB3ITGA2BMAPT | |
| SCHEMBL7790073 | 0.84 | CYP26A1 (0.46) | CYP26A1SMN1; SMN2CTSALMNAALDH1A1 | |
| SCHEMBL7788180 | 0.84 | F10 (0.38) | ATMLMNAALDH1A1ITGB3ITGA2B | |
| SCHEMBL7187004 | 0.83 | MAPT (0.48) | ATMLMNAALDH1A1L3MBTL1POLB |
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-1147079-A2 | BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | Bayer Aktiengesellschaft (DE) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000041469-A2 | β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | WO | disclosed |