Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.44 |
| ▸ | RELA | Q04206 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12649170 | 0.75 | ALDH1A1 (0.45) | KDM4ESMN1; SMN2LMNAALDH1A1MEN1 | |
| SCHEMBL543240 | 0.75 | CYP2A6 (0.44) | KDM4ESMN1; SMN2LMNAALDH1A1MEN1 | |
| SCHEMBL27925517 | 0.75 | APP (0.45) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 | |
| SCHEMBL23462851 | 0.75 | CYP2A6 (0.44) | KDM4ESMN1; SMN2LMNAALDH1A1MEN1 | |
| SCHEMBL30903623 | 0.75 | APP (0.45) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 | |
| SCHEMBL23462968 | 0.75 | CYP2A6 (0.44) | LMNAALDH1A1MEN1KMT2AGAA | |
| SCHEMBL2138067 | 0.75 | APP (0.49) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 | |
| SCHEMBL30594904 | 0.74 | APP (0.49) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 | |
| SCHEMBL28598741 | 0.74 | APP (0.49) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 | |
| SCHEMBL5116616 | 0.74 | SMN1; SMN2 (0.51) | KDM4ESMN1; SMN2LMNANFKB1NFKB2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5412099-A | Intermediate benzothiazolyl- and benzoxazolyl-aldehyde compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1995-05-02 | — | — | US | disclosed |
| EP-0450420-B1 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5254692-A | Inotropic | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |
| US-5200420-A | Inotropic agents for cardiovascular disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| EP-0450420-A2 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1991-10-09 | — | — | EP | disclosed |