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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 5/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.46 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 3/20 | 0.44 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7279121 | 0.86 | CTSL (0.50) | CTSLCTSSCTSBCTSKPOLB | |
| SCHEMBL6448736 | 0.86 | CTSB (0.47) | CTSLCTSSCTSBCTSKPOLB | |
| SCHEMBL7279131 | 0.86 | CTSL (0.50) | CTSLCTSSCTSBCTSKPOLB | |
| SCHEMBL6448729 | 0.86 | CTSB (0.47) | CTSLCTSSCTSBCTSKPOLB | |
| SCHEMBL6447838 | 0.85 | CTSL (0.49) | CTSLCTSSCTSBCTSKPOLB | |
| SCHEMBL6447832 | 0.85 | CTSL (0.49) | CTSLCTSSCTSBCTSKPOLB | |
| Lithium Ion SCHEMBL6446195 | 0.85 | CYP3A4 (0.53) | CTSLCTSSCTSBCTSKNAMPT | |
| SCHEMBL22361608 | 0.82 | CTSL (0.50) | CTSLCTSSCTSBCTSKNAMPT | |
| Lithium Ion SCHEMBL7159574 | 0.82 | CTSK (0.54) | CTSLCTSSCTSBCTSK | |
| SCHEMBL1335603 | 0.81 | POLB (0.53) | CTSLCTSSCTSKPOLBNAMPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| EP-0402646-B1 | Retroviral protease inhibiting compounds | ABBOTT LAB (US) | 1998-07-22 | — | — | EP | disclosed |
| EP-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |