Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 2/20 | 0.57 |
| ▸ | FAAH | O00519 | 1/20 | 0.54 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | PYGL | P06737 | 1/20 | 0.50 |
| ▸ | PYGM | P11217 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558367 | 1.00 | CCKBR (0.57) | CCKBRFAAHSSTR3NPC1LMNA | |
| SCHEMBL6834814 | 0.85 | MLLT1 (0.53) | CCKBRMLLT1CGASFLT3 | |
| SCHEMBL5258969 | 0.85 | MLLT1 (0.53) | CCKBRMLLT1CGASFLT3 | |
| SCHEMBL18280728 | 0.85 | POLB (0.56) | FAAHSSTR3NPC1LMNARAB9A | |
| SCHEMBL14565580 | 0.84 | TAS1R3 (0.52) | CCKBRFAAHSSTR3KDM4EALDH1A1 | |
| SCHEMBL5260262 | 0.84 | F10 (0.59) | PYGLPYGM | |
| SCHEMBL7067623 | 0.84 | MLLT1 (0.72) | LMNAKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL7069488 | 0.84 | SMYD3 (0.61) | PYGLMLLT1 | |
| SCHEMBL6834302 | 0.84 | DRD4 (0.56) | CCKBRPYGLPYGMMLLT1CGAS | |
| SCHEMBL6832859 | 0.84 | MLLT1 (0.52) | CCKBRPYGLPYGMMLLT1FLT3 |
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 | CCKBR 1288/4885FAAH 249/4885SSTR3 1108/4885 |
| US-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | CCKBR 754/4885FAAH 287/4885SSTR3 682/4885 |
“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.