Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21746688 | 0.81 | F2 (0.31) | — | |
| SCHEMBL21746796 | 0.81 | F2 (0.36) | — | |
| SCHEMBL12520054 | 0.79 | F2 (0.39) | CA12CA1CA9CA2ALDH1A1 | |
| SCHEMBL21746797 | 0.78 | ALDH1A1 (0.33) | ALDH1A1PDK1PDK2PDK3TSHR | |
| SCHEMBL14367203 | 0.74 | SMN1; SMN2 (0.41) | LMNASMN1; SMN2HTTPKMCA12 | |
| SCHEMBL21266696 | 0.74 | HTT (0.43) | LMNASMN1; SMN2HTTPKMALDH1A1 | |
| SCHEMBL23807060 | 0.73 | PDK1 (0.43) | LMNASMN1; SMN2HTTPKMCA12 | |
| SCHEMBL14943820 | 0.73 | LMNA (0.36) | LMNASMN1; SMN2HTTPKMCA12 | |
| SCHEMBL23653386 | 0.72 | PHGDH (0.32) | LMNASMN1; SMN2ALDH1A1PHGDHMGLL | |
| SCHEMBL21746007 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |