Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 7/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | GRK2 | P25098 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15026743 | 0.89 | AOC3 (0.57) | AOC3ROCK2GRK2RAB9ANPC1 | |
| SCHEMBL1041941 | 0.81 | ROCK2 (0.57) | AOC3ROCK2GRK2RAB9ANPC1 | |
| SCHEMBL1696584 | 0.74 | NR1H2 (0.66) | ROCK2GRK2RAB9ANPC1POLB | |
| SCHEMBL15025705 | 0.73 | NR1H2 (0.65) | RAB9ANPC1ALDH1A1MAPTLMNA | |
| SCHEMBL5373485 | 0.72 | CSNK1D (0.48) | ROCK2RAB9AALDH1A1GAAMAPT | |
| SCHEMBL9061744 | 0.71 | RXRA (0.49) | RAB9ANPC1ALDH1A1GAAMAPT | |
| SCHEMBL9060183 | 0.70 | GRIN1 (0.48) | RAB9ANPC1ALDH1A1GAAMAPT | |
| SCHEMBL15025603 | 0.69 | TGFBR1 (0.47) | ROCK2RAB9ANPC1POLBALDH1A1 | |
| SCHEMBL9061966 | 0.69 | DRD1 (0.52) | RAB9APOLBALDH1A1GAAMAPT | |
| SCHEMBL16202050 | 0.68 | ALDH1A1 (0.43) | RAB9ANPC1ALDH1A1GAAMAPT |
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-8889677-B2 | Substituted triazoles useful as mGlu5 receptor modulators | Boehringer Ingellheim International GmbH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-8642774-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-20130184248-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-18 | — | — | US | disclosed |
| US-20130150341-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | 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-20130150341-A1 | NOVEL COMPOUNDS | GRM5, GRM1, GRIK5 | AOC3 3200/4885ROCK2 1846/4885GRK2 29/4885 |
| US-20130184248-A1 | NOVEL COMPOUNDS | GRM5, GRIN1, GRM1 | AOC3 3037/4885ROCK2 2037/4885GRK2 27/4885 |
“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.