Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 3/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952788 | 0.76 | PARP1 (0.60) | PARP1ERN1 | |
| SCHEMBL7484218 | 0.76 | PARP1 (0.60) | PARP1ERN1 | |
| SCHEMBL8363222 | 0.76 | HTR2A (0.36) | PARP1CYP2A6KDM4EPTGS1PTGS2 | |
| SCHEMBL736186 | 0.75 | PARP1 (0.42) | PARP1ERN1CYP2A6 | |
| SCHEMBL10602912 | 0.75 | ERN1 (0.44) | PARP1ERN1CYP2A6 | |
| SCHEMBL10544843 | 0.75 | ERN1 (0.42) | PARP1ERN1 | |
| SCHEMBL1512811 | 0.75 | PARP1 (0.39) | PARP1ERN1CYP2A6 | |
| SCHEMBL18509002 | 0.75 | TRPA1 (0.38) | PARP1CYP2A6KDM4EPTGS1PTGS2 | |
| SCHEMBL14948811 | 0.75 | PARP1 (0.39) | PARP1CYP2A6KDM4E | |
| SCHEMBL30542231 | 0.72 | PTGS2 (0.47) | CYP2A6ALDH1A1PTGS2 |
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-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |