Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7477593 | 0.86 | ESR1 (0.46) | STAT3NPSR1CYP1A2MAPTESR1 | |
| Hydrochloric Acid SCHEMBL7481106 | 0.84 | ESR1 (0.45) | STAT3NPSR1CYP1A2MAPTESR1 | |
| Hydrochloric Acid SCHEMBL7483427 | 0.81 | CYP1A2 (0.45) | STAT3NPSR1CYP1A2MAPTLMNA | |
| SCHEMBL7485009 | 0.81 | CYP1A2 (0.71) | CYP1A2MAPTNPC1LMNACA1 | |
| SCHEMBL7479666 | 0.79 | APP (0.46) | CYP1A2MAPTAPPPOLBLMNA | |
| Hydrochloric Acid SCHEMBL7485356 | 0.78 | APP (0.45) | CYP1A2MAPTAPPPOLBLMNA | |
| SCHEMBL12443053 | 0.76 | LMNA (0.71) | STAT3NPSR1MAPTPOLBLMNA | |
| SCHEMBL14322059 | 0.72 | CYP1A2 (0.74) | NPSR1CYP1A2MAPTAPPNPC1 | |
| SCHEMBL22743012 | 0.68 | CYP1A2 (0.67) | NPSR1CYP1A2MAPTCA1KMT2A | |
| SCHEMBL1783796 | 0.67 | APP (0.66) | MAPTESR1ESR2APPPOLB |
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-0950056-B1 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2002-09-18 | — | — | EP | claimed |