Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
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 SCHEMBL7708035 | 0.99 | KDM4E (0.41) | KDM4EPRMT5MAOAMAOBHTR6 | |
| Hydrochloric Acid SCHEMBL6989622 | 0.93 | KDM4E (0.48) | KDM4EPRMT5ALDH1A1KMT2ADHFR | |
| SCHEMBL7001771 | 0.82 | OPRM1 (0.38) | MAOAMAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7003628 | 0.81 | OPRM1 (0.38) | MAOAMAOBALDH1A1KMT2A | |
| SCHEMBL6999674 | 0.76 | PARP1 (0.60) | KDM4EPRMT5MAOAMAOBHTR6 | |
| SCHEMBL27466929 | 0.76 | PARP1 (0.53) | KDM4EBCHEALDH1A1CA1CA2 | |
| SCHEMBL6611984 | 0.75 | PARP1 (0.45) | KDM4EALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL7713375 | 0.74 | PARP1 (0.52) | KDM4EALDH1A1KMT2ACA1CA2 | |
| Hydrochloric Acid SCHEMBL6302797 | 0.74 | PARP1 (0.44) | ALDH1A1KMT2A | |
| SCHEMBL6610312 | 0.74 | PARP1 (0.51) | KDM4EBCHEALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | claimed |