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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL8749310 | 0.78 | — | — | |
| Lithium Ion SCHEMBL9534043 | 0.72 | — | — | |
| SCHEMBL23039 | 0.63 | — | — | |
| Bromide SCHEMBL7869699 | 0.63 | L3MBTL1 (0.52) | HSD17B10NPC1RAB9ASMN1; SMN2MEN1 | |
| Bromide SCHEMBL1453982 | 0.61 | — | — | |
| Bromide SCHEMBL2851138 | 0.61 | — | — | |
| SCHEMBL516321 | 0.61 | FBP1 (0.39) | FBP1CES2CES1TSHRHSD17B10 | |
| Bromide SCHEMBL27529818 | 0.61 | — | — | |
| Lithium Ion SCHEMBL8563402 | 0.61 | — | — | |
| SCHEMBL3545 | 0.60 | L3MBTL1 (0.57) | FBP1HSD17B10NPC1RAB9ASMN1; SMN2 |
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-0459381-B1 | Process for the preparation of 10-(2-propynyl)ester-4-ene-3,17-dione | MERRELL PHARMA INC (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5516922-A | Process for the preparation of 10(2-propynyl)estr-4-ene-3,17-dione | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0459381-A2 | Process for the preparation of 10-(2-propynyl)ester-4-ene-3,17-dione | MERRELL PHARMACEUTICALS INC. (US) | 1991-12-04 | — | — | EP | disclosed |