Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 6/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.48 |
| ▸ | DNM2 | P50570 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.47 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.47 |
| ▸ | CBR1 | P16152 | 1/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24023115 | 0.86 | AKR1B10 (0.48) | AKR1B10AKR1B1DNM2ITGB3ITGA2B | |
| SCHEMBL13494165 | 0.80 | MAOB (0.58) | AKR1B10AKR1B1KDM4ENPC1MEN1 | |
| SCHEMBL31661779 | 0.80 | NPC1 (0.68) | AKR1B10KDM4ENPC1MEN1HPGD | |
| SCHEMBL5655976 | 0.80 | NPC1 (0.68) | AKR1B10KDM4ENPC1MEN1HPGD | |
| SCHEMBL13494167 | 0.77 | MAOB (0.47) | AKR1B10AKR1B1DNM2AKR1A1CBR1 | |
| SCHEMBL530998 | 0.76 | GPR35 (0.68) | KDM4EHPGDALDH1A1L3MBTL1CA12 | |
| SCHEMBL31114264 | 0.74 | KDM4E (0.56) | AKR1B10AKR1B1DNM2AKR1A1CBR1 | |
| SCHEMBL17942940 | 0.73 | AKR1B10 (0.43) | AKR1B10AKR1B1AKR1A1CBR1AKR1C4 | |
| SCHEMBL14405907 | 0.73 | MAOB (0.60) | KDM4EMEN1GAAKMT2AALDH1A1 | |
| SCHEMBL13494169 | 0.73 | GPR35 (0.40) | KDM4ENPC1MEN1GAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007057428-A1 | CHROMOPHORE CONTAINING LIGANDS FOR CHARACTERISATION OF RECEPTORS FOR BINDING AND ACTIVATION | EPFL - ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007057428-A1 | CHROMOPHORE CONTAINING LIGANDS FOR CHARACTERISATION OF RECEPTORS FOR BINDING AND ACTIVATION | EPFL - ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) | 2007-05-24 | — | — | WO | disclosed |