Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28279734 | 0.83 | TDP1 (0.45) | SMN1; SMN2TDP1GABRPGABRDGABRA1 | |
| Tert-Butyl Formate SCHEMBL28254488 | 0.83 | TDP1 (0.45) | SMN1; SMN2TDP1GABRPGABRDGABRA1 | |
| Ethyl Isonipecotate SCHEMBL27840521 | 0.83 | PKM (0.41) | SMN1; SMN2TDP1TSHRALDH1A1NPC1 | |
| SCHEMBL5163 | 0.82 | GABRP (0.52) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL27030505 | 0.82 | GABRP (0.52) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Tert-Butyl Formate SCHEMBL28035538 | 0.82 | TDP1 (0.43) | SMN1; SMN2TDP1GABRPGABRDGABRA1 | |
| Tert-Butyl Formate SCHEMBL27566302 | 0.82 | TDP1 (0.43) | SMN1; SMN2TDP1GABRPGABRDGABRA1 | |
| Tert-Butyl Formate SCHEMBL28838162 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2ALDH1A1NPC1RAB9ATP53 | |
| Tert-Butyl Formate SCHEMBL27652277 | 0.81 | TDP1 (0.39) | SMN1; SMN2TDP1GABRPGABRDGABRA1 | |
| Tert-Butyl Formate SCHEMBL27751950 | 0.81 | TDP1 (0.50) | TDP1GABRPGABRDGABRA1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105461693-A | Crth2 antagonist compound and use thereof | GUANGDONG HEC PHARMACEUTICAL | 2016-04-06 | — | — | CN | disclosed |