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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 13/20 | 1.00 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.48 |
| ▸ | KDM5A | P29375 | 1/20 | 0.48 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.48 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943342 | 0.90 | DHODH (0.82) | DHODHKDM4CKDM5AKDM5BCSNK2A2 | |
| SCHEMBL3736385 | 0.89 | DHODH (0.80) | DHODHKDM4CKDM5AKDM5BKDR | |
| SCHEMBL729153 | 0.89 | DHODH (0.80) | DHODHKDM4CKDM5AKDM5BCSNK2A2 | |
| Lithium Ion SCHEMBL729530 | 0.88 | DHODH (0.80) | DHODHABCB1 | |
| Lithium Ion SCHEMBL727803 | 0.85 | DHODH (1.00) | DHODHABCB1 | |
| Lithium Ion SCHEMBL3871711 | 0.85 | DHODH (0.73) | DHODHKDM4CKDM5AKDM5BKDR | |
| Lithium Ion SCHEMBL729455 | 0.84 | DHODH (1.00) | DHODHKDM4CKDM5AKDM5BKDR | |
| Lithium Ion SCHEMBL3871709 | 0.83 | DHODH (0.70) | DHODHKDM4CKDM5AKDM5B | |
| SCHEMBL3723102 | 0.80 | DHODH (0.66) | DHODHABCB1 | |
| Aslan-003 SCHEMBL3914892 | 0.78 | DHODH (0.65) | DHODH |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120294854-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. | 2012-11-22 | — | — | US | claimed |
| US-8258308-B2 | Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2012-09-04 | — | — | US | claimed |
| EP-2121614-B1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | ALMIRALL SA (ES) | 2012-06-20 | — | — | EP | claimed |
| JP-2011524392-A | — | — | 2011-09-01 | — | — | JP | claimed |
| US-20110129445-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | ALMIRALL, S.A. (ES) | 2011-06-02 | — | — | US | claimed |
| EP-2296663-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | Almirall, S.A. (ES) | 2011-03-23 | — | — | EP | claimed |
| US-20100074898-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-03-25 | — | — | US | claimed |
| WO-2009153043-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | ALMIRALL, S.A. (ES) | 2009-12-23 | — | — | WO | claimed |
| EP-2135610-A1 | Combination comprising DHODH inhibitors and methotrexate | Laboratorios Almirall, S.A. (ES) | 2009-12-23 | — | — | EP | claimed |
| US-8865728-B2 | Combinations comprising methotrexate and DHODH inhibitors | ALMIRALL, S.A. (ES) | 2014-10-21 | — | — | US | disclosed |
| US-8691852-B2 | Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors | AMIRALL, S.A. (ES) | 2014-04-08 | — | — | US | disclosed |
| US-20120294854-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. | 2012-11-22 | — | — | US | disclosed |
| US-8258308-B2 | Amino nicotinic and isonicotinic acid derivatives as DHODH inhibitors | LABORATORIOS ALMIRALL, S.A. (ES) | 2012-09-04 | — | — | US | disclosed |
| EP-2121614-B1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | ALMIRALL SA (ES) | 2012-06-20 | — | — | EP | disclosed |
| EP-2296663-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | Almirall, S.A. (ES) | 2011-03-23 | — | — | EP | disclosed |
| US-20100074898-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-03-25 | — | — | US | disclosed |
| WO-2009153043-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | ALMIRALL, S.A. (ES) | 2009-12-23 | — | — | WO | disclosed |
| EP-2135610-A1 | Combination comprising DHODH inhibitors and methotrexate | Laboratorios Almirall, S.A. (ES) | 2009-12-23 | — | — | EP | disclosed |
| EP-2121614-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | Almirall, S.A. (ES) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008077639-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2008-07-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100074898-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | DHODH, NQO2, DAO | DHODH 1/4885KDM4C 3252/4885KDM5A 1149/4885 |
| US-20120294854-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | DHODH, NQO2, DAO | DHODH 1/4885KDM4C 3252/4885KDM5A 1149/4885 |
| US-20110129445-A1 | COMBINATIONS COMPRISING METHOTREXATE AND DHODH INHIBITORS | DHODH, DHFR, MTHFD2 | DHODH 1/4885KDM4C 3213/4885KDM5A 2278/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.