Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18949738 | 0.77 | TSHR (0.49) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL13600081 | 0.76 | HTT (0.43) | SMN1; SMN2ALOX15HTTKDM4EPOLB | |
| SCHEMBL18949731 | 0.75 | CA12 (0.47) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL12680266 | 0.72 | SMN1; SMN2 (0.49) | CA9SMN1; SMN2ALOX15HTTTSHR | |
| SCHEMBL2453964 | 0.72 | SMN1; SMN2 (0.66) | SMN1; SMN2ALOX15HTTKDM4EPOLB | |
| SCHEMBL27993081 | 0.69 | RAB9A (0.51) | SMN1; SMN2ALOX15HTTKDM4EPOLB | |
| SCHEMBL14353298 | 0.68 | POLB (0.61) | SMN1; SMN2TSHRPOLBAPEX1MEN1 | |
| SCHEMBL14208190 | 0.67 | SMN1; SMN2 (0.41) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL13600098 | 0.67 | CA12 (0.44) | CA12CA1CA2CA9ALOX15 | |
| SCHEMBL12765043 | 0.64 | ALDH1A1 (0.44) | SMN1; SMN2HTTPOLBMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7625905-B2 | Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |
| US-7625905-B2 | Octahydro-pyrrolo[3,4-c]pyrrole CCR5 receptor antagonists | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |
| US-20080103125-A1 | Heterocylic antiviral compounds | ROCHE PALO ALTO LLC | 2008-05-01 | — | — | US | disclosed |
| US-20070191406-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |
| US-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | 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 (3 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-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | CCR5, CXCR1, CXCR3 | CA12 4778/4885CA1 4181/4885CA2 4205/4885 |
| US-20080103125-A1 | Heterocylic antiviral compounds | CCR5, ACKR3, CXCR3 | CA12 4592/4885CA1 4588/4885CA2 4475/4885 |
| US-20070191406-A1 | Heterocyclic antiviral compounds | CCR5, CX3CR1, CXCR1 | CA12 4762/4885CA1 4663/4885CA2 4464/4885 |
“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.