Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL27799978 | 0.86 | KDM4E (0.41) | LMNATSHRKDM4ECYP3A4ASIC3 | |
| Acrylic Acid SCHEMBL27909788 | 0.85 | GABRP (0.34) | LMNATSHRKDM4ECYP3A4ASIC3 | |
| SCHEMBL2826538 | 0.83 | — | — | |
| SCHEMBL21604095 | 0.79 | KDM4E (0.58) | LMNATSHRKDM4ECYP3A4CYP1A2 | |
| SCHEMBL28040587 | 0.79 | ASIC3 (0.38) | LMNATSHRKDM4ECYP3A4ASIC3 | |
| SCHEMBL19013912 | 0.77 | HPGD (0.45) | ASIC3ALDH1A1MAPTGABRPGABRD | |
| SCHEMBL23453426 | 0.76 | HRH1 (0.57) | LMNAKDM4EASIC3CYP1A2SYK | |
| SCHEMBL31574146 | 0.76 | ASIC3 (0.34) | TSHRCYP3A4ASIC3CYP1A2POLB | |
| SCHEMBL2643200 | 0.76 | — | — | |
| SCHEMBL15526283 | 0.75 | KDM4E (0.42) | LMNATSHRKDM4ECYP3A4CYP1A2 |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |