Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.33 |
| ▸ | KDM4B | O94953 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9034922 | 0.92 | TYMP (0.41) | HRH3TYMPCXCR4PARP1HTT | |
| SCHEMBL12715997 | 0.84 | CXCR4 (0.37) | HRH3TYMPCXCR4PARP1HTT | |
| SCHEMBL1610726 | 0.83 | NCF1 (0.41) | HRH3TYMPCXCR4PARP1HTT | |
| SCHEMBL18377716 | 0.78 | CYP2A13 (0.40) | HRH3TYMPCXCR4HTTALDH1A1 | |
| SCHEMBL19589388 | 0.74 | ALOX15 (0.45) | HRH3TYMPCXCR4ALDH1A1CYP2A13 | |
| SCHEMBL9035972 | 0.72 | OPRK1 (0.31) | — | |
| SCHEMBL9034911 | 0.71 | HTR1D (0.38) | TYMPPARP1CYP3A4 | |
| SCHEMBL3437040 | 0.70 | ALDH1A1 (0.58) | HRH3ALDH1A1KDM4ESMN1; SMN2POLB | |
| SCHEMBL13923300 | 0.66 | KDM4E (0.48) | HRH3HTTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1032725 | 0.65 | KEAP1 (0.58) | HRH3ALDH1A1KDM4ESMN1; SMN2POLB |
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 |