Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL16385300 | 0.84 | HSD17B1 (0.47) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL3346933 | 0.84 | PIK3CD (0.50) | NPC1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7399345 | 0.84 | CYP2D6 (0.44) | NPC1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL2559473 | 0.84 | KMO (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL2409087 | 0.84 | PIM1 (0.46) | NPC1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL24732450 | 0.81 | CYP2D6 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL16385234 | 0.81 | RAB9A (0.53) | NPC1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL25480188 | 0.81 | CYP2D6 (0.45) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL18471236 | 0.80 | CYP1A2 (0.44) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL21241437 | 0.80 | S1PR1 (0.49) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD. (CH) | 2011-09-01 | — | — | 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 (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-20110212968-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | HCRTR2, HCRTR1, HRH3 | NPC1 1540/4885CYP2D6 1512/4885CYP19A1 1138/4885 |
“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.