Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6510193 | 0.91 | ITGA4 (0.53) | ITGB1ITGA4ITGB3ITGAVITGA5 | |
| SCHEMBL7099259 | 0.88 | KLK5 (0.46) | ITGB1ITGA4TDP2ITGB3ITGB7 | |
| SCHEMBL6519624 | 0.83 | ITGB1 (0.63) | ITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL7105608 | 0.79 | PTGS2 (0.47) | ITGB1ITGA4TDP2KMT2AALDH1A1 | |
| SCHEMBL5264161 | 0.78 | CA12 (0.45) | ITGB1ITGA4TDP2ALDH1A1ITGB3 | |
| SCHEMBL5264156 | 0.78 | CA12 (0.45) | ITGB1ITGA4TDP2ALDH1A1ITGB3 | |
| SCHEMBL28883302 | 0.78 | NPSR1 (0.56) | KMT2AMEN1ALDH1A1LMNAHDAC1 | |
| SCHEMBL28883406 | 0.78 | NOS2 (0.55) | KMT2AMEN1ALDH1A1LMNANOS2 | |
| SCHEMBL28883295 | 0.75 | ALDH1A1 (0.48) | KMT2AMEN1ALDH1A1LMNANOS2 | |
| SCHEMBL12863003 | 0.74 | MDM4 (0.60) | KMT2AALDH1A1HDAC1HDAC6NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6911451-B1 | Phenylalanine derivatives | CELLTECH R&D LIMITED (GB) | 2005-06-28 | — | — | US | disclosed |