Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31304842 | 0.78 | PARP1 (0.37) | PARP1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL18181803 | 0.77 | PARP1 (0.58) | PARP1ALDH1A1HPGDKDM4ECYP3A4 | |
| SCHEMBL2249971 | 0.77 | PARP1 (0.58) | PARP1ALDH1A1HPGDKDM4ECYP3A4 | |
| SCHEMBL4596028 | 0.77 | PARP1 (0.33) | PARP1 | |
| SCHEMBL4596563 | 0.74 | HTR1A (0.38) | PARP1ALDH1A1 | |
| SCHEMBL11091102 | 0.73 | SMN1; SMN2 (0.35) | PARP1ALDH1A1LMNAKMT2A | |
| SCHEMBL4596979 | 0.70 | AQP1 (0.40) | — | |
| SCHEMBL4649843 | 0.70 | HTR1A (0.40) | HPGD | |
| SCHEMBL6047939 | 0.70 | HTR2A (0.40) | PARP1ALDH1A1 | |
| SCHEMBL4596760 | 0.70 | MAPT (0.43) | ALDH1A1HPGDKDM4EMEN1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |