Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL933875 | 1.00 | PTPN1 (0.61) | PTPN1TSHRMAPK1GRM5CES2 | |
| Phenylacetylene SCHEMBL28207264 | 0.94 | PTPN1 (0.60) | PTPN1TSHRMAPK1GRM5CES2 | |
| SCHEMBL11239236 | 0.89 | PTPN1 (0.51) | PTPN1TSHRMAPK1GRM5FFAR1 | |
| SCHEMBL11224511 | 0.86 | PTPN1 (0.49) | PTPN1TSHRMAPK1ALDH1A1 | |
| SCHEMBL11234512 | 0.85 | PTPN1 (0.48) | PTPN1TSHRMAPK1ALDH1A1 | |
| SCHEMBL10535262 | 0.83 | PTPN1 (0.57) | PTPN1TSHRMAPK1GRM5FFAR1 | |
| SCHEMBL30873473 | 0.82 | GRM5 (0.58) | PTPN1TSHRMAPK1GRM5CES2 | |
| SCHEMBL2273427 | 0.82 | TSHR (0.52) | PTPN1TSHRMAPK1GRM5CES2 | |
| SCHEMBL17729320 | 0.79 | PTPN1 (0.49) | PTPN1TSHRMAPK1GRM5CA12 | |
| SCHEMBL695156 | 0.78 | TSHR (0.48) | PTPN1TSHRMAPK1GRM5CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115385911-A | Compound with dipyrrolopyridine structure, preparation method and medical application | 南京康屹生物医药中心(有限合伙) | 2022-11-25 | — | — | CN | disclosed |
| CN-110248940-B | Aryl hydrocarbon receptor (AhR) modulator compounds | 菲尼克斯药品股份公司 | 2022-07-01 | — | — | CN | disclosed |