Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL9035977 | 0.92 | HRH3 (0.38) | TYMPCXCR4PARP1HRH3ALDH1A1 | |
| SCHEMBL1610726 | 0.90 | NCF1 (0.41) | TYMPCXCR4PARP1HRH3ALDH1A1 | |
| SCHEMBL12715997 | 0.88 | CXCR4 (0.37) | TYMPCXCR4PARP1HRH3ALDH1A1 | |
| SCHEMBL18377716 | 0.81 | CYP2A13 (0.40) | TYMPCXCR4HRH3ALDH1A1CYP2C9 | |
| SCHEMBL19589388 | 0.77 | ALOX15 (0.45) | TYMPCXCR4HRH3ALDH1A1CYP2C9 | |
| SCHEMBL9034911 | 0.77 | HTR1D (0.38) | TYMPPARP1 | |
| SCHEMBL4982004 | 0.69 | HPGD (0.43) | CXCR4HRH3ALDH1A1CYP2C9ALOX15 | |
| SCHEMBL19634969 | 0.66 | PARP1 (0.37) | TYMPCXCR4PARP1HRH3ALDH1A1 | |
| SCHEMBL2648324 | 0.64 | ALDH1A1 (0.41) | CXCR4HRH3ALDH1A1CYP2C9ALOX15 | |
| SCHEMBL2648327 | 0.64 | CXCR4 (0.51) | CXCR4HRH3ALDH1A1CYP2C9ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0737192-A1 | SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018124-A1 | SUBSTITUTED MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-07-06 | — | — | WO | disclosed |