Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | TYR | P14679 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13590027 | 0.82 | S100B (0.50) | CYP2C9ALDH1A1MAPTCYP1A2CYP2C19 | |
| SCHEMBL17770822 | 0.76 | CYP2C9 (0.59) | CYP2C9TYRALDH1A1MAPTNPC1 | |
| SCHEMBL7091916 | 0.76 | ALDH1A1 (0.48) | CYP2C9ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL7626811 | 0.76 | CYP2C9 (0.59) | CYP2C9TYRALDH1A1MAPTNPC1 | |
| SCHEMBL85152 | 0.76 | MAPT (0.47) | CYP2C9ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL13322471 | 0.73 | CYP3A4 (0.41) | CYP1A2CYP3A4S100BMAPK1 | |
| SCHEMBL13805424 | 0.71 | CYP2C9 (0.53) | CYP2C9ALDH1A1MAPTCYP3A4HPGD | |
| SCHEMBL13854131 | 0.71 | CYP2C9 (0.53) | CYP2C9TYRALDH1A1MAPTNPC1 | |
| SCHEMBL14459430 | 0.71 | S100B (0.49) | ALDH1A1MAPTNPC1RAB9AGAA | |
| SCHEMBL18104433 | 0.71 | CYP2C9 (0.49) | CYP2C9TYRALDH1A1MAPTNPC1 |
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-8329907-B2 | Autotaxin inhibitors | MERCK PATENT GMBH (DE) | 2012-12-11 | — | — | US | disclosed |
| US-8173638-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-05-08 | — | — | US | disclosed |
| US-20120015976-A1 | AUTOTAXIN INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) | 2012-01-19 | — | — | US | disclosed |
| US-20100009964-A1 | Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-14 | — | — | US | 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-20100009964-A1 | Compounds Which Modulate The CB2 Receptor | CNR2, CNR1, OPRL1 | CYP2C9 1301/4885TYR 2164/4885ALDH1A1 1695/4885 |
| US-20120015976-A1 | AUTOTAXIN INHIBITORS | ENPP2, PLA2G12A, LPCAT1 | CYP2C9 4824/4885TYR 3695/4885ALDH1A1 4088/4885 |
“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.