Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | CCKBR | P32239 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | PYGM | P11217 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 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 | |
|---|---|---|---|---|
| SCHEMBL6838497 | 1.00 | FAAH (0.43) | FAAHCCKBRNPC1LMNARAB9A | |
| SCHEMBL5254556 | 0.89 | MLLT1 (0.42) | PYGLCTSSCTSK | |
| SCHEMBL5258060 | 0.89 | F10 (0.38) | CTSSCTSKTACR1 | |
| SCHEMBL6839388 | 0.89 | MLLT1 (0.42) | PYGLCTSSCTSK | |
| SCHEMBL5258055 | 0.89 | F10 (0.38) | CTSSCTSKTACR1 | |
| SCHEMBL5257174 | 0.88 | MLLT1 (0.41) | PYGLPYGMCTSSCTSK | |
| SCHEMBL5254519 | 0.88 | MLLT1 (0.56) | NPC1LMNARAB9APYGLPYGM | |
| SCHEMBL6838498 | 0.88 | MLLT1 (0.56) | NPC1LMNARAB9APYGLPYGM | |
| SCHEMBL5259539 | 0.88 | SMYD3 (0.48) | PYGL | |
| SCHEMBL5257246 | 0.88 | F10 (0.49) | PYGLPYGM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| EP-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | US | disclosed |
| US-20030212097-A1 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2003-11-13 | — | — | 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-20030212097-A1 | Heteroaryl nitriles | UACA, FPR1, GSTA1 | FAAH 249/4885CCKBR 1288/4885NPC1 403/4885 |
| US-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | FAAH 287/4885CCKBR 754/4885NPC1 155/4885 |
“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.