Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | HPGD | P15428 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5483889 | 0.99 | KDM4E (0.46) | KDM4EALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL14448258 | 0.85 | HTR3A (0.58) | MAPTKMT2ANPC1RAB9AMEN1 | |
| Hydrochloric Acid SCHEMBL5467852 | 0.84 | HTR3A (0.57) | MAPTKMT2ANPC1RAB9AMEN1 | |
| SCHEMBL259751 | 0.81 | CHRM5 (0.56) | — | |
| SCHEMBL263699 | 0.81 | CHRM5 (0.56) | — | |
| SCHEMBL263519 | 0.81 | CHRM5 (0.58) | — | |
| SCHEMBL263703 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MAPTGAANPC1RAB9A | |
| SCHEMBL14448261 | 0.76 | CYP1A2 (0.53) | KDM4EALDH1A1HPGDMAPTKMT2A | |
| Hydrochloric Acid SCHEMBL5471928 | 0.75 | CYP1A2 (0.52) | KDM4EALDH1A1HPGDMAPTKMT2A | |
| SCHEMBL6556747 | 0.75 | CHRNA7 (0.62) | ALDH1A1TP53NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7247728-B2 | Bicyclic N-arylamides | BAYER HEALTHCARE AG (DE) | 2007-07-24 | — | — | US | disclosed |
| US-7247728-B2 | Bicyclic N-arylamides | BAYER HEALTHCARE AG (DE) | 2007-07-24 | — | — | US | disclosed |