Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL28185042 | 0.97 | CXCR4 (0.41) | ALDH1A1CA2CHKAKDM4EPHGDH | |
| Methylpiperazine SCHEMBL7566544 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CA2CHKAKDM4EPHGDH | |
| N-Methylpiperidine SCHEMBL27667330 | 0.94 | CA2 (0.42) | ALDH1A1CA2CHKAKDM4EPHGDH | |
| Methylpiperazine SCHEMBL12678259 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL54849 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678252 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL12678256 | 0.93 | — | — | |
| Methylpiperazine SCHEMBL1363 | 0.93 | — | — | |
| SCHEMBL154155 | 0.93 | PHGDH (0.41) | ALDH1A1CA2CHKAKDM4EPHGDH | |
| Methylpiperazine SCHEMBL7802072 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143188-B | Novel sulfonamide TRPA1 receptor antagonists | 阿里奥制药有限公司 | 2017-11-28 | — | — | CN | disclosed |