Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SHBG | P04278 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5748458 | 1.00 | PTGS2 (0.46) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL5749761 | 1.00 | PTGS2 (0.46) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL28315487 | 0.87 | PTGS2 (0.54) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL27083008 | 0.82 | PTGS2 (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL31066146 | 0.81 | HPGD (0.48) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL5750192 | 0.81 | PTGS2 (0.47) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL5748726 | 0.81 | PTGS2 (0.47) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL5748746 | 0.81 | PTGS2 (0.47) | PTGS2CYP3A4ESR1ADRA2AADORA3 | |
| SCHEMBL15993628 | 0.80 | TDP1 (0.47) | PTGS2CYP3A4HSD17B10KDM4EALDH1A1 | |
| SCHEMBL5746286 | 0.78 | ESR1 (0.44) | PTGS2CYP3A4ESR1ADRA2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060293503-A1 | Polyaminopyridines and method for producing same | SUMITOMO SEIKA CHEMICALS CO., LTD (JP) | 2006-12-28 | — | — | US | disclosed |
| EP-1669390-A1 | POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |