Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | GLS | O94925 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4811129 | 1.00 | KMT2A (0.55) | KMT2AGLSALDH1A1PTGS1PTGS2 | |
| SCHEMBL27935006 | 0.86 | ALDH1A1 (0.48) | KMT2AGLSALDH1A1CYP3A4PKM | |
| SCHEMBL8460020 | 0.86 | CYP2C19 (0.49) | KMT2AGLSALDH1A1CYP3A4PKM | |
| SCHEMBL819828 | 0.86 | KMT2A (0.58) | KMT2AGLSALDH1A1PTGS1PTGS2 | |
| SCHEMBL8208998 | 0.83 | KMT2A (0.51) | KMT2AALDH1A1PTGS1PTGS2ESR1 | |
| SCHEMBL28062414 | 0.83 | EPHX1 (0.54) | KMT2AGLSALDH1A1CYP3A4PKM | |
| SCHEMBL22418886 | 0.83 | GLS (0.46) | KMT2AGLSALDH1A1MEN1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8484874 | 0.81 | KMT2A (0.53) | KMT2AGLSALDH1A1ESR1ESR2 | |
| SCHEMBL820937 | 0.81 | KMT2A (0.53) | KMT2AALDH1A1ESR1ESR2MEN1 | |
| SCHEMBL13175572 | 0.81 | KMT2A (0.56) | KMT2AGLSALDH1A1PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008149110-A1 | BICYCLOR [2.2.1] HEPT-7-YLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES AND CONDITIONS IN WHICH M3 MUSCARINIC RECEPTOR ACTIVITY AND BETA-ADRENERGIC ACTIVITY ARE IMPLICATED | ARGENTA DISCOVERY LIMITED (GB) | 2008-12-11 | — | — | WO | disclosed |
| WO-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |