Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 15/20 | 0.64 |
| ▸ | DRD2 | P14416 | 10/20 | 0.64 |
| ▸ | FLT3 | P36888 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.54 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.54 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5262845 | 0.91 | FLT3 (0.69) | DRD3DRD2FLT3KDM4EADRB1 | |
| SCHEMBL16599544 | 0.81 | PDGFRB (0.74) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL31207849 | 0.81 | PDGFRB (0.74) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL3884146 | 0.81 | FLT3 (0.71) | DRD3DRD2FLT3KDM4EADRB1 | |
| SCHEMBL24076666 | 0.80 | PLA2G4A (0.55) | FLT3KDM4EALDH1A1PDGFRBPDGFRA | |
| SCHEMBL4109720 | 0.80 | EIF4A3 (0.51) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL5268277 | 0.79 | FLT3 (0.53) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL3035497 | 0.79 | KDM4E (0.52) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL13460613 | 0.78 | PDGFRB (0.77) | DRD3DRD2FLT3KDM4EALDH1A1 | |
| SCHEMBL6753290 | 0.78 | TBXAS1 (0.55) | NPC1RAB9AHRH4 |
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-A1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-08 | — | — | 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 |
| WO-2003048123-A1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-06-12 | — | — | WO | 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 | DRD3 4479/4885DRD2 4575/4885FLT3 2159/4885 |
| US-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | DRD3 423/4885DRD2 463/4885FLT3 2697/4885 |
“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.