Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6154764 | 0.76 | ALDH1A1 (0.41) | KMT2AALDH1A1LMNATSHR | |
| SCHEMBL16622549 | 0.75 | KMT2A (0.39) | KMT2ASMN1; SMN2ALDH1A1LMNACYP2D6 | |
| SCHEMBL16622551 | 0.74 | ALDH1A1 (0.45) | KMT2AALDH1A1LMNA | |
| SCHEMBL16622598 | 0.73 | KMT2A (0.37) | KMT2AALDH1A1LMNATACR1HTR1D | |
| SCHEMBL16622585 | 0.72 | CTSK (0.43) | KMT2AALDH1A1NPSR1 | |
| SCHEMBL16622550 | 0.72 | MME (0.39) | KMT2AALDH1A1HTTLMNA | |
| SCHEMBL27883362 | 0.71 | KMT2A (0.45) | KMT2AALDH1A1LMNACA12CA7 | |
| SCHEMBL6877320 | 0.70 | TACR1 (0.47) | KMT2ATACR1TSHR | |
| SCHEMBL6270165 | 0.70 | LMNA (0.46) | KMT2ASMN1; SMN2ALDH1A1HTTLMNA | |
| SCHEMBL15359357 | 0.69 | ALDH1A1 (0.58) | KMT2ASMN1; SMN2ALDH1A1HTTLMNA |
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-2507210-B1 | CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) | NOVARTIS AG (CH) | 2015-04-08 | — | — | EP | disclosed |