Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 9/20 | 0.68 |
| ▸ | HSD17B2 | P37059 | 8/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.61 |
| ▸ | ESR1 | P03372 | 3/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | RXRG | P48443 | 1/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL487527 | 0.86 | HSD17B1 (0.58) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL29628971 | 0.85 | RXRA (0.53) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL29020581 | 0.83 | ADRB1 (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL597362 | 0.82 | PTPN5 (0.49) | RXRARXRBRXRGPTPN5MEN1 | |
| SCHEMBL7898375 | 0.82 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL17403388 | 0.82 | CYP17A1 (0.61) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL10598462 | 0.81 | RXRA (0.55) | CYP3A4ESR1ESR2CYP1A2RXRA | |
| SCHEMBL5355878 | 0.81 | RXRA (0.65) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL29727265 | 0.81 | RXRA (0.65) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 | |
| SCHEMBL18317088 | 0.80 | HSD17B1 (0.68) | HSD17B1HSD17B2CYP3A4CYP2C9CYP17A1 |
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-8283368-B2 | Selective ligands for the dopamine 3 (D3) receptor and methods of using the same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2012-10-09 | — | — | US | disclosed |
| US-20120165322-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | US | disclosed |
| US-20120165322-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | US | disclosed |
| WO-2012006203-A1 | N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |
| US-20110184033-A1 | Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2011-07-28 | — | — | 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-20110184033-A1 | Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same | DRD3, HTR3C, HTR3A | HSD17B1 667/4885HSD17B2 676/4885CYP3A4 1297/4885 |
| US-20120165322-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, RHOA | HSD17B1 1547/4885HSD17B2 1666/4885CYP3A4 2215/4885 |
“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.