Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPT1A | P50416 | 11/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CPT2 | P23786 | 8/20 | 0.42 |
| ▸ | CPT1B | Q92523 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1044681 | 0.83 | ALDH1A1 (0.49) | CPT1AALDH1A1LMNAKDM4ECPT2 | |
| SCHEMBL1043735 | 0.81 | MEN1 (0.54) | CPT1AALDH1A1LMNAKDM4ECPT2 | |
| SCHEMBL28020351 | 0.81 | PIM1 (0.36) | CYP3A4CYP2C9 | |
| SCHEMBL6527795 | 0.81 | CPT1A (0.50) | CPT1AALDH1A1LMNAKDM4ECPT2 | |
| SCHEMBL27852726 | 0.81 | SMYD3 (0.38) | MEN1KMT2AL3MBTL1 | |
| SCHEMBL28020454 | 0.81 | KDM4E (0.41) | ALDH1A1LMNAKDM4EGAAL3MBTL1 | |
| SCHEMBL27852731 | 0.80 | PIM1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27834884 | 0.80 | PIM1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27852806 | 0.80 | PIM1 (0.41) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27852743 | 0.80 | PIM1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102015026-B | The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | CN | claimed |
| CN-102015026-B | The Compounds and methods for of the antiport suppressing NHE to mediate in treatment with fluid retention or salt over loading relevant disease and gastroenteropathy | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | CN | disclosed |