Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 5/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 7/20 | 0.34 |
| ▸ | CA2 | P00918 | 7/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GNG2 | P59768 | 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 | |
|---|---|---|---|---|
| SCHEMBL8428888 | 0.82 | CA1 (0.37) | CA1CA2CA12CA9CA4 | |
| SCHEMBL8531518 | 0.81 | CA1 (0.34) | FFAR1FFAR4CA1CA2CA12 | |
| SCHEMBL8500583 | 0.73 | PFKFB3 (0.39) | FFAR1FFAR4HPGDPTGDR2MAPT | |
| SCHEMBL8499997 | 0.72 | PFKFB3 (0.41) | CA1CA2HPGDPTGDR2MAPT | |
| SCHEMBL8698661 | 0.70 | KDM4E (0.38) | CA1CA2CA12CA9CA4 | |
| SCHEMBL8501524 | 0.70 | PFKFB3 (0.47) | PTGER1PTGER4PTGER3PTGER2HPGD | |
| SCHEMBL8532207 | 0.70 | CA1 (0.33) | CA1CA2CA12CA9CA4 | |
| SCHEMBL8536130 | 0.69 | CA1 (0.35) | CA1CA2CA12CA9CA4 | |
| SCHEMBL8428884 | 0.68 | ITGB3 (0.42) | CA1CA2CA12CA9CA4 | |
| SCHEMBL7376815 | 0.68 | ALDH1A1 (0.55) | FFAR1FFAR4CA1CA2ALDH1A1 |
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-5773646-A | INTEGRIN INHIBITORS | G. D. SEARLE & CO. (US) | 1998-06-30 | — | — | US | disclosed |