Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 9/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 6/20 | 0.43 |
| ▸ | PPARD | Q03181 | 6/20 | 0.43 |
| ▸ | PPARA | Q07869 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TLR2 | O60603 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25244991 | 1.00 | GPR84 (0.48) | GPR84EPHX1PLA2G10PPARGPPARD | |
| SCHEMBL18159303 | 1.00 | GPR84 (0.48) | GPR84EPHX1PLA2G10PPARGPPARD | |
| SCHEMBL18158981 | 1.00 | GPR84 (0.48) | GPR84EPHX1PLA2G10PPARGPPARD | |
| SCHEMBL25305499 | 1.00 | GPR84 (0.48) | GPR84EPHX1PLA2G10PPARGPPARD | |
| SCHEMBL1248366 | 1.00 | GPR84 (0.48) | GPR84EPHX1PLA2G10PPARGPPARD | |
| SCHEMBL8973063 | 0.98 | GPR84 (0.46) | GPR84EPHX1PLA2G10PPARGPPARD | |
| Dapabutan SCHEMBL30444141 | 0.93 | ALDH1A1 (0.43) | GPR84EPHX1PLA2G10TSHRALDH1A1 | |
| SCHEMBL11134700 | 0.92 | GPR84 (0.42) | GPR84EPHX1PLA2G10MEN1ALOX15 | |
| SCHEMBL10527171 | 0.92 | PLA2G10 (0.57) | PLA2G10PPARGPPARDPPARATDP1 | |
| SCHEMBL10527158 | 0.92 | PLA2G10 (0.57) | PLA2G10PPARGPPARDPPARATDP1 |
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-8178712-B2 | Process for the synthesis of Ibandronate sodium | CIPLA LTD. (IN) | 2012-05-15 | — | — | US | claimed |