Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 7/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 6/20 | 0.32 |
| ▸ | MAOB | P27338 | 6/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720341 | 1.00 | PTGS2 (0.45) | PTGS2ALDH1A1KDM1ACHRM2CHRM4 | |
| SCHEMBL11003541 | 1.00 | PTGS2 (0.45) | PTGS2ALDH1A1KDM1ACHRM2CHRM4 | |
| SCHEMBL9724816 | 0.84 | CYP2A6 (0.41) | PTGS2ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL9724812 | 0.84 | CYP2A6 (0.41) | PTGS2ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL9724818 | 0.84 | CYP2A6 (0.41) | PTGS2ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL19809419 | 0.79 | MAOA (0.40) | PTGS2ALDH1A1KDM1ACHRM2CHRM4 | |
| SCHEMBL11699378 | 0.78 | KDM1A (0.45) | PTGS2ALDH1A1KDM1ACHRM2CHRM4 | |
| SCHEMBL10444501 | 0.78 | HTR2C (0.36) | PTGS2ALDH1A1KDM1AGAAMAPT | |
| SCHEMBL10444517 | 0.78 | PTGS2 (0.38) | PTGS2ALDH1A1KDM1AGAAMAPT | |
| SCHEMBL10444572 | 0.78 | KCNN4 (0.39) | PTGS2ALDH1A1KDM1AGAAMAPT |
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-5574169-A | CHOLECYSTOKININ ANTAGONIST | ELI LILLY AND COMPANY (US) | 1996-11-12 | — | — | US | disclosed |
| US-5399708-A | Cholecystokinin and gastrin antagonists; gastrointestinal and central nervous system disorders | ELI LILLY AND COMPANY (US) | 1995-03-21 | — | — | US | disclosed |