Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8043540 | 0.84 | CYP2A6 (0.32) | CYP2A6ALDH1A1CYP1A2TSHRHPGD | |
| SCHEMBL8029660 | 0.81 | CYP2A6 (0.42) | CYP2A6ALDH1A1CYP1A2TSHRHSD17B10 | |
| SCHEMBL8061392 | 0.80 | ACP3 (0.31) | ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8056043 | 0.79 | ACP3 (0.32) | ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8055049 | 0.78 | ALDH1A1 (0.32) | CYP2A6ALDH1A1CYP1A2HPGDHSD17B10 | |
| SCHEMBL8832798 | 0.78 | CYP2A6 (0.35) | CYP2A6ALDH1A1CYP1A2TSHRHPGD | |
| SCHEMBL8055050 | 0.76 | — | — | |
| SCHEMBL8061426 | 0.74 | MAPT (0.34) | CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8056073 | 0.74 | ACP3 (0.35) | ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8056374 | 0.73 | MAPT (0.33) | CYP2A6ALDH1A1TSHRHSD17B10 |
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-0704449-B1 | Process for the preparation of diphosphanes | CELANESE CHEM EUROPE GMBH (DE) | 2000-05-24 | — | — | EP | disclosed |
| US-5696296-A | Diphosphines and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-09 | — | — | US | disclosed |
| EP-0704449-A1 | Diphosphanes and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-04-03 | — | — | EP | disclosed |