Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902869 | 0.87 | ITGB1 (0.38) | CYP3A4ALDH1A1ALOX15SMN1; SMN2HIF1A | |
| SCHEMBL6933976 | 0.83 | ITGA4 (0.46) | ITGA4 | |
| SCHEMBL7896702 | 0.83 | TPH1 (0.37) | HIF1APTGS1OPRM1TPH1TACR1 | |
| SCHEMBL7905211 | 0.82 | ITGB1 (0.43) | SMN1; SMN2TPH1ITGA4AGTR2 | |
| Phenylalanine SCHEMBL7906184 | 0.81 | SLC7A5 (0.52) | PTGS1TPH1SLC7A5ALPIPKM | |
| SCHEMBL7904119 | 0.81 | CYP3A4 (0.38) | CYP3A4ALDH1A1ALOX15SMN1; SMN2HIF1A | |
| SCHEMBL6933966 | 0.80 | ITGB1 (0.37) | PTGS1KMT2ATPH1ITGA4SLC7A5 | |
| SCHEMBL7905098 | 0.80 | ITGB1 (0.50) | ITGA4 | |
| SCHEMBL6933788 | 0.80 | AGTR2 (0.39) | S1PR1ITGA4AGTR2 | |
| SCHEMBL7904116 | 0.79 | SLC7A5 (0.45) | CYP3A4PTGS1OPRM1CYP1A2TPH1 |
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-6197794-B1 | ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-03-06 | — | — | US | disclosed |