Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL8029660 | 0.84 | CYP2A6 (0.42) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL13422174 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL8020132 | 0.83 | CYP2A6 (0.41) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL8508015 | 0.81 | CYP2A6 (0.48) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL31021235 | 0.81 | CYP2A6 (0.48) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL25060534 | 0.81 | TSHR (0.48) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL6835361 | 0.80 | CYP2A6 (0.36) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL2951616 | 0.80 | TSHR (0.65) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL29352216 | 0.80 | TSHR (0.65) | CYP1A2CYP2A6TSHRALDH1A1MAPT | |
| SCHEMBL7777414 | 0.79 | CYP2A6 (0.47) | CYP1A2CYP2A6TSHRALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695756-B1 | Process for the preparation of compounds of the phosphane series as well as their use | CELANESE CHEM EUROPE GMBH (DE) | 2000-03-15 | — | — | EP | disclosed |
| US-5728886-A | Compounds of the phosphine group, their preparation and their use | HOECHST AG (DE) | 1998-03-17 | — | — | US | disclosed |
| EP-0695756-A1 | Compounds of the phosphane series, process for their preparation as well as their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |