Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2849857 | 0.95 | CYP3A4 (0.48) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL150139 | 0.77 | TDP1 (0.69) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL1120987 | 0.75 | CYP3A4 (0.58) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL8073956 | 0.75 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL4146230 | 0.75 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL28323816 | 0.75 | CYP3A4 (0.65) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL31059891 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Water SCHEMBL1131752 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| Water SCHEMBL1131329 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 | |
| SCHEMBL30350108 | 0.73 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | claimed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | claimed |
| US-8436111-B2 | Nickel catalyst system for the preparation of high CIS polybutadiene | BRIDGESTONE CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20100093920-A1 | NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |