Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | YWHAG | P61981 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | PPIB | P23284 | 1/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | PPID | Q08752 | 1/20 | 0.40 |
| ▸ | PPIG | Q13427 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL30704448 | 0.95 | ALDH1A1 (0.44) | ALDH1A1GAACYP4F2CYP4A11YWHAG | |
| SCHEMBL10175300 | 0.84 | ALDH1A1 (0.49) | ALDH1A1GAACYP4F2CYP4A11YWHAG | |
| SCHEMBL6354463 | 0.84 | YWHAG (0.50) | ALDH1A1GAACYP4F2CYP4A11YWHAG | |
| SCHEMBL11038201 | 0.84 | CYP1A2 (0.47) | ALDH1A1GAAYWHAGL3MBTL1TSHR | |
| SCHEMBL19336121 | 0.83 | ALDH1A1 (0.48) | ALDH1A1GAACYP4F2CYP4A11YWHAG | |
| SCHEMBL16661855 | 0.83 | ALDH1A1 (0.68) | ALDH1A1GAAL3MBTL1KLK7POLB | |
| SCHEMBL9736831 | 0.82 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1TSHRALOX5MAPK1 | |
| SCHEMBL10899541 | 0.81 | CYP1A2 (0.61) | ALDH1A1GAAL3MBTL1TSHRNPC1 | |
| SCHEMBL18373632 | 0.81 | THRB (0.44) | ALDH1A1GAACYP4F2CYP4A11YWHAG | |
| Ammonia Solution, Strong SCHEMBL27732594 | 0.81 | ALDH1A1 (0.59) | ALDH1A1GAAL3MBTL1TSHRALOX5 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9073905-B2 | Rock inhibitors | AMAKEM NV (BE) | 2015-07-07 | — | — | US | disclosed |
| US-9073905-B2 | Rock inhibitors | AMAKEM NV (BE) | 2015-07-07 | — | — | US | disclosed |
| US-20140057942-A1 | NOVEL ROCK INHIBITORS | AMAKEM NV (BE) | 2014-02-27 | — | — | US | disclosed |
| US-20140057942-A1 | NOVEL ROCK INHIBITORS | AMAKEM NV (BE) | 2014-02-27 | — | — | US | disclosed |
| WO-2012146724-A2 | NOVEL ROCK INHIBITORS | AMAKEM NV (BE) | 2012-11-01 | — | — | 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 (1 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-20140057942-A1 | NOVEL ROCK INHIBITORS | ROCK1, ROCK2, CIT | ALDH1A1 3011/4885GAA 4282/4885CYP4F2 1969/4885 |
“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.