Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 7/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL10327213 | 0.85 | CXCR4 (0.47) | CXCR4MEN1ALDH1A1KMT2AGAA | |
| SCHEMBL17676894 | 0.85 | CXCR4 (0.47) | CXCR4MEN1ALDH1A1KMT2AGAA | |
| SCHEMBL10327192 | 0.85 | CXCR4 (0.47) | CXCR4MEN1ALDH1A1KMT2AGAA | |
| SCHEMBL30019844 | 0.84 | CXCR4 (0.46) | CXCR4ALDH1A1GAACYP1A2CYP2A6 | |
| SCHEMBL13045107 | 0.84 | CXCR4 (0.46) | CXCR4ALDH1A1GAACYP1A2CYP2A6 | |
| SCHEMBL14357764 | 0.80 | HDAC8 (0.57) | CXCR4GAACYP1A2HDAC8 | |
| SCHEMBL1011632 | 0.80 | HDAC8 (0.57) | CXCR4GAACYP1A2HDAC8 | |
| SCHEMBL7448481 | 0.79 | CXCR4 (0.43) | CXCR4TACR2CYP1A2CYP2A6DAO | |
| SCHEMBL15296374 | 0.78 | CXCR4 (0.43) | CXCR4MEN1KMT2A | |
| SCHEMBL7448764 | 0.78 | CXCR4 (0.47) | CXCR4TACR2CYP1A2OPRM1MMP13 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000270887-A | PRODUCTION OF D-3-(2-NAPHTHYL)ALANINE | MITSUBISHI CHEMICALS CORP | 2000-10-03 | — | — | JP | disclosed |
| EP-0695749-B1 | Process for the selective hydrogenation of activated, ethylenically unsaturated compounds | RUETGERS ORGANICS GMBH (DE) | 1998-11-25 | — | — | EP | disclosed |
| US-5552317-A | POLYMERIZATION OF MONOMERS IN THE PRESENCE OF ENZYME AND HYDROLYSIS | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1996-09-03 | — | — | US | disclosed |
| US-5552318-A | ENANTIOSELECTIVE SYNTHESIS OF D-AMINO ACIDS | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 1996-09-03 | — | — | US | disclosed |
| EP-0695749-A1 | Process for the selective hydrogenation of activated, ethylenically unsaturated compounds | RÜTGERSWERKE AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |