Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | DHODH | Q02127 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | GALR1 | P47211 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2380991 | 0.85 | XDH (0.49) | DHODHXDHBACE1ADORA1ADORA2A | |
| SCHEMBL1337687 | 0.83 | XDH (0.47) | DHODHXDHBACE1ADORA1ADORA2A | |
| SCHEMBL1351195 | 0.81 | CYP3A4 (0.45) | ALDH1A1CYP3A4TSHRMAPK1FFAR4 | |
| SCHEMBL3725786 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRDHODHXDH | |
| SCHEMBL1335751 | 0.81 | DHODH (0.44) | DHODHXDHBACE1ADORA1ADORA2A | |
| SCHEMBL1337217 | 0.80 | TAAR1 (0.52) | CYP3A4DHODHXDHBACE1ADORA1 | |
| SCHEMBL3725544 | 0.79 | CYP3A4 (0.57) | ALDH1A1CYP3A4TSHRMAPK1ESR2 | |
| SCHEMBL21770975 | 0.78 | XDH (0.51) | ALDH1A1CYP3A4TSHRMAPK1XDH | |
| SCHEMBL13778702 | 0.76 | PTPN5 (0.50) | ALDH1A1DHODHXDHKCNH2SCN10A | |
| SCHEMBL21770724 | 0.76 | ADORA1 (0.46) | CYP3A4DHODHXDHBACE1ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20100074898-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | LABORATORIOS ALMIRALL, S.A. (ES) | 2010-03-25 | — | — | US | 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 (2 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 | ALDH1A1 147/4885CYP3A4 2249/4885TSHR 3745/4885 |
| US-20120294854-A1 | AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS | DHODH, NQO2, DAO | ALDH1A1 147/4885CYP3A4 2249/4885TSHR 3745/4885 |
“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.