Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | TLR4 | O00206 | 1/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8573695 | 1.00 | CYP1A2 (0.47) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL21433765 | 0.81 | HTR1B (0.43) | CYP1A2KDM4EMEN1KMT2ASLC6A4 | |
| SCHEMBL27902830 | 0.76 | CYP1A2 (0.74) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| Ethylene Glycol SCHEMBL7617462 | 0.74 | TTR (0.40) | CYP1A2LMNAALDH1A1 | |
| SCHEMBL1073250 | 0.72 | CYP1A2 (0.47) | CYP1A2KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL27923989 | 0.72 | CYP1A2 (0.36) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL1042267 | 0.71 | HPGD (0.48) | CYP1A2KDM4EALDH1A1TSHRMAPK1 | |
| Adonitol SCHEMBL27869815 | 0.71 | ALDH1A1 (0.45) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL27566507 | 0.71 | CYP1A2 (0.40) | CYP1A2KDM4EMEN1CYP2C19KMT2A | |
| SCHEMBL1609579 | 0.70 | CYP1A2 (0.44) | CYP1A2KDM4EMEN1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173397-A1 | STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS | PPG-Sipsy S.C.A. (FR) | 2002-01-23 | — | — | EP | claimed |
| WO-2000066519-A1 | STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS | PPG-SIPSY S.C.A. (FR) | 2000-11-09 | — | — | WO | claimed |
| EP-1173397-A1 | STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS | PPG-Sipsy S.C.A. (FR) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066519-A1 | STEREOSPECIFIC METHOD FOR PREPARING 4-HYDOXYALK-1-ENE COMPOUNDS | PPG-SIPSY S.C.A. (FR) | 2000-11-09 | — | — | WO | disclosed |