Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14874548 | 0.84 | HTT (0.44) | SMN1; SMN2L3MBTL1MAPK1ALDH1A1LMNA | |
| SCHEMBL8216947 | 0.84 | SMN1; SMN2 (0.40) | CYP1A2CYP2C9CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL2303443 | 0.81 | CA12 (0.44) | ALDH1A1POLBTSHR | |
| SCHEMBL8571647 | 0.80 | MMP8 (0.44) | CYP1A2CYP2C9SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL8568021 | 0.79 | CYP3A4 (0.40) | CYP2C9SMN1; SMN2L3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL14874526 | 0.78 | ALDH1A1 (0.38) | SMN1; SMN2L3MBTL1ALDH1A1KMT2ATSHR | |
| SCHEMBL3909041 | 0.78 | ESR1 (0.46) | SMN1; SMN2ALDH1A1POLBTSHR | |
| SCHEMBL15933208 | 0.77 | PPARG (0.48) | SMN1; SMN2L3MBTL1ALDH1A1MAPTKMT2A | |
| SCHEMBL14449417 | 0.77 | SMN1; SMN2 (0.35) | CYP1A2CYP2C19SMN1; SMN2L3MBTL1MAPK1 | |
| SCHEMBL3903766 | 0.76 | ALDH1A1 (0.48) | ALDH1A1POLBMAPTKMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6005010-A | CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIA AGENTS AND ANTIISCHEMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |