Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.38 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5431973 | 0.86 | CYP2A6 (0.46) | CA1CA2ALDH1A1CYP2A6TSHR | |
| SCHEMBL31676618 | 0.86 | CYP2A6 (0.46) | CA1CA2ALDH1A1CYP2A6TSHR | |
| SCHEMBL646163 | 0.86 | CA1 (0.52) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| Ethylene SCHEMBL27960904 | 0.82 | CA1 (0.48) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL29065571 | 0.82 | CA1 (0.48) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| Anthracene SCHEMBL28261733 | 0.81 | CA1 (0.47) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL3245559 | 0.81 | CA1 (0.52) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL28241231 | 0.77 | ANPEP (0.56) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL8828836 | 0.77 | ANPEP (0.56) | CA1CA2ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL2745872 | 0.77 | APP (0.41) | CA2ALDH1A1KDM4ECYP2A6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019117733-A1 | THE USE OF ACETYLENE DERIVATIVES IN RUMINANTS | PASTORAL GREENHOUSE GAS RESEARCH LTD (NZ) | 2019-06-20 | — | — | WO | disclosed |
| CN-1265645-A | Urokinase inhibitors | ABBOTT LAB (US) | 2000-09-06 | — | — | CN | disclosed |