Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4269809 | 0.81 | — | — | |
| SCHEMBL4269805 | 0.81 | — | — | |
| SCHEMBL4269815 | 0.81 | — | — | |
| SCHEMBL26047924 | 0.70 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRNPC1 | |
| Cycloheptanamine SCHEMBL7792128 | 0.66 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM1AKDM4EHPGD | |
| Benzaldehyde SCHEMBL8035182 | 0.66 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM1AKDM4EHPGD | |
| Benzaldehyde SCHEMBL27523766 | 0.64 | ALDH1A1 (0.52) | ALDH1A1CYP2A6HTR2CSIGMAR1KDM1A | |
| Benzaldehyde SCHEMBL5458306 | 0.63 | ALDH1A1 (0.78) | ALDH1A1CYP2A6TSHR | |
| Benzaldehyde SCHEMBL27780794 | 0.63 | ALDH1A1 (0.88) | ALDH1A1CYP2A6TSHR | |
| Benzaldehyde SCHEMBL9075999 | 0.62 | ALDH1A1 (0.74) | ALDH1A1CYP2A6TSHRNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1529050-A1 | CEPHALOSPORINS | Sandoz AG (CH) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004007505-A1 | CEPHALOSPORINS | SANDOZ AG (CH) | 2004-01-22 | — | — | WO | disclosed |