Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5711180 | 1.00 | SMN1; SMN2 (0.45) | SMN1; SMN2HIF1ASLC6A2TAAR1MMP8 | |
| SCHEMBL28603553 | 0.85 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP3A4ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL27535125 | 0.85 | CA12 (0.41) | SMN1; SMN2HIF1AALDH1A1CA12CA1 | |
| SCHEMBL27535172 | 0.85 | CYP3A4 (0.48) | SMN1; SMN2SLC6A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3286267 | 0.84 | PPARG (0.38) | TAAR1ALDH1A1PPARGPPARA | |
| SCHEMBL3287116 | 0.83 | KDM4E (0.47) | SMN1; SMN2ALDH1A1CYP2C9CYP2C19TSHR | |
| SCHEMBL8287363 | 0.81 | SMN1; SMN2 (0.50) | SMN1; SMN2HIF1ASLC6A2TAAR1MMP8 | |
| SCHEMBL7345507 | 0.80 | PTPN1 (0.49) | SMN1; SMN2HIF1ASLC6A2ALDH1A1CYP2C9 | |
| SCHEMBL27513616 | 0.80 | PTPN1 (0.49) | SMN1; SMN2HIF1ASLC6A2ALDH1A1CYP2C9 | |
| SCHEMBL8385923 | 0.79 | SMN1; SMN2 (0.60) | SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4 |
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-RE36718-E | 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2000-05-30 | — | — | US | claimed |
| US-5616726-A | AN 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL BY ADDING NITROMETHANE STEREOSELECTIVELY IN THE PRESENCE OF A BASE TO AN OPTICAL ACTIVE AMINOALDEHYDE; CHEMICAL INTERMEDIATES FOR DRUGS; E.G. THE ANTICARCINOGENIC AGENT, BESTATIN | KANEKA CORPORATION (JP) | 1997-04-01 | — | — | US | claimed |
| EP-0657415-A1 | OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KANEKA CORPORATION (JP) | 1995-06-14 | — | — | EP | claimed |
| CN-1253442-C | Novel thiazine and pyrazine derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 2006-04-26 | — | — | CN | disclosed |
| CN-1372553-A | Novel thiazine or pyrazine derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 2002-10-02 | — | — | CN | disclosed |