Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 8/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7834285 | 0.89 | CYP2A6 (0.51) | CYP2A6IMPDH2HTR2AGPR84SLC6A2 | |
| SCHEMBL7493529 | 0.78 | CYP2A6 (0.58) | CYP2A6IMPDH2HTR2AGPR84KDM4E | |
| SCHEMBL29952017 | 0.76 | CYP2A6 (0.60) | CYP2A6IMPDH2HTR2AGPR84SLC6A2 | |
| SCHEMBL7490083 | 0.75 | CYP2A6 (0.63) | CYP2A6IMPDH2HTR2AGPR84KDM4E | |
| SCHEMBL3260214 | 0.75 | CYP2A6 (0.51) | CYP2A6IMPDH2HTR2AGPR84SLC6A2 | |
| SCHEMBL7496069 | 0.73 | CYP1A2 (0.57) | CYP2A6IMPDH2HTR2AGPR84SLC6A2 | |
| SCHEMBL29408411 | 0.71 | CYP2A6 (0.66) | CYP2A6IMPDH2KDM4EALDH1A1MAPT | |
| SCHEMBL248842 | 0.71 | CYP2A6 (0.66) | CYP2A6IMPDH2KDM4EALDH1A1MAPT | |
| SCHEMBL29952428 | 0.70 | CYP2A6 (0.70) | CYP2A6IMPDH2KDM4EMEN1ALDH1A1 | |
| SCHEMBL1337252 | 0.70 | CYP2A6 (0.64) | CYP2A6IMPDH2GPR84MEN1ALDH1A1 |
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-1109813-A1 | PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000012510-A1 | PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |