Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28252816 | 0.93 | HPRT1 (0.40) | ANPEPCYP1A2CYP11B1CYP11B2HTR7 | |
| SCHEMBL29084579 | 0.76 | HTR7 (0.48) | ANPEPHTR7HTR1AALDH1A1KDM4E | |
| Furan SCHEMBL28153482 | 0.74 | HPRT1 (0.34) | ANPEPCYP1A2CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL2725956 | 0.72 | CYP1A2 (0.51) | ANPEPCYP1A2CYP11B1CYP11B2HTR1A | |
| SCHEMBL6565496 | 0.71 | ANPEP (0.42) | ANPEPCYP1A2HTR7HTR1A | |
| SCHEMBL29481017 | 0.69 | ALDH1A1 (0.50) | ANPEPCYP1A2LMNAALDH1A1KDM4E | |
| SCHEMBL54652 | 0.69 | ALDH1A1 (0.50) | ANPEPCYP1A2LMNAALDH1A1KDM4E | |
| SCHEMBL19116646 | 0.69 | ANPEP (0.50) | ANPEPCYP1A2HTR7HTR1AALDH1A1 | |
| SCHEMBL28081883 | 0.69 | HPRT1 (0.44) | ANPEPCYP1A2HTR7HTR1AALDH1A1 | |
| SCHEMBL28116501 | 0.69 | DRD2 (0.47) | ANPEPHTR7HTR1ADRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016168450-A1 | ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2016-10-20 | — | — | WO | disclosed |