Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL633774 | 0.98 | CYP2C19 (0.53) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL4954811 | 0.98 | CYP2C19 (0.53) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| Bromoacetic Acid SCHEMBL21811414 | 0.92 | CYP2C19 (0.49) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL21765678 | 0.90 | ALDH1A1 (0.44) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL21883836 | 0.90 | ALDH1A1 (0.44) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL21765664 | 0.86 | SERPINE1 (0.41) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL949986 | 0.86 | NAAA (0.43) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL949655 | 0.84 | CYP2C19 (0.46) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL951198 | 0.84 | CYP2C19 (0.46) | NAAACYP2C19HTTCYP19A1EPHX1 | |
| SCHEMBL952084 | 0.84 | CYP2C19 (0.46) | NAAACYP2C19HTTCYP19A1EPHX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130046087-A1 | Substituted Cyclodextrin Derivatives Useful As Intermediates For Producing Biologically Active Materials | ARCARIOS BV (NL) | 2013-02-21 | — | — | US | disclosed |
| EP-2550299-A2 | Substituted cyclodextrin derivatives and process for their preparation | Arcarios B.V. (NL) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011117317-A2 | SUBSTITUTED CYCLODEXTRIN DERIVATIVES USEFUL AS INTERMEDIATES FOR PRODUCING BIOLOGICALLY ACTIVE MATERIALS | ARCARIOS BV (NL) | 2011-09-29 | — | — | WO | disclosed |
| US-4971619-A | HERBICIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1990-11-20 | — | — | US | disclosed |
| US-3970678-A | Organotin mercaptide process | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1976-07-20 | — | — | US | disclosed |