Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6997432 | 0.99 | KMT2A (0.44) | KMT2AMEN1MAPTCYP1A2CYP3A4 | |
| SCHEMBL6995764 | 0.90 | CHRM2 (0.41) | KMT2AMEN1MAPTPARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6992777 | 0.89 | CHRM2 (0.40) | KMT2AMEN1MAPTPARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7713373 | 0.82 | PARP1 (0.53) | KMT2AMEN1PARP1ALDH1A1TDP1 | |
| SCHEMBL6998348 | 0.81 | KDM4E (0.45) | KMT2AMEN1CYP1A2CYP2C19PARP1 | |
| SCHEMBL7002250 | 0.81 | PARP1 (0.42) | PARP1OPRM1OPRK1 | |
| SCHEMBL7002470 | 0.81 | PARP1 (0.42) | CYP1A2CYP3A4CYP2C19PARP1 | |
| Hydrochloric Acid SCHEMBL6994806 | 0.81 | KDM4E (0.44) | KMT2AMEN1CYP1A2CYP2C19PARP1 | |
| Hydrochloric Acid SCHEMBL7001196 | 0.80 | PARP1 (0.41) | PARP1 | |
| Hydrochloric Acid SCHEMBL6996848 | 0.80 | PARP1 (0.41) | CYP1A2CYP3A4CYP2C19PARP1 |
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 |