Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | XPO1 | O14980 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2195175 | 1.00 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL2201083 | 0.81 | XPO1 (0.38) | NPC1RAB9ASMN1; SMN2XPO1LMNA | |
| SCHEMBL2201082 | 0.81 | XPO1 (0.38) | NPC1RAB9ASMN1; SMN2XPO1LMNA | |
| SCHEMBL30288729 | 0.81 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL16642332 | 0.81 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL19900075 | 0.81 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL29385542 | 0.81 | ALDH1A1 (0.38) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL15278739 | 0.78 | AAK1 (0.41) | NPC1RAB9ASMN1; SMN2RECQLXPO1 | |
| SCHEMBL15278595 | 0.77 | AAK1 (0.34) | XPO1AAK1ESR1ALDH1A1 | |
| SCHEMBL1253843 | 0.77 | KMT2A (0.37) | NPC1XPO1AAK1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2398769-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| US-7977372-B2 | Ortho aminoamides for the treatment of cancer | HOFFMANN-LA ROCHE INC. (US) | 2011-07-12 | — | — | US | disclosed |
| WO-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100216806-A1 | ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER | HOFFMANN-LA ROCHE, INC. | 2010-08-26 | — | — | 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-20100216806-A1 | ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER | HDAC5, HDAC1, HDAC4 | NPC1 3496/4885RAB9A 2658/4885SMN1; SMN2 1004/4885 |
“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.