Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27565434 | 0.80 | ALDH1A1 (0.46) | ALDH1A1TSHRPTPN1DAOCA1 | |
| SCHEMBL11034545 | 0.78 | KIF11 (0.48) | ADH1BADH1CADH1AADH7KIF11 | |
| SCHEMBL2012349 | 0.77 | ADRB2 (0.35) | DAO | |
| SCHEMBL5755493 | 0.76 | DRD2 (0.37) | ALDH1A1TSHRPTPN1CA1CA2 | |
| SCHEMBL2088572 | 0.76 | KCNN4 (0.42) | ALDH1A1TSHRPTPN1S1PR4LMNA | |
| SCHEMBL2013469 | 0.76 | ADRB2 (0.36) | ALDH1A1TSHRPTPN1DAOCA1 | |
| SCHEMBL1834441 | 0.75 | TAAR1 (0.48) | ALDH1A1MAPTADH1BADH1CADH1A | |
| SCHEMBL9340362 | 0.75 | CYP2C19 (0.39) | ALDH1A1MAPTADH1BADH1CADH1A | |
| SCHEMBL13851657 | 0.72 | CYP2C19 (0.45) | ALDH1A1TSHRPTPN1S1PR4LMNA | |
| SCHEMBL10159499 | 0.71 | KIF11 (0.50) | ALDH1A1TSHRCA1CA2CA5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143425-B2 | Heterocyclic aromatic compounds useful as growth hormone secretagogues | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143425-B2 | Heterocyclic aromatic compounds useful as growth hormone secretagogues | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| WO-2007111994-A2 | COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS | SYNDEXA PHARMACEUTICALS CORPORATION (US) | 2007-10-04 | — | — | WO | disclosed |