Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.51 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | JAK1 | P23458 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569488 | 0.96 | CCR5 (0.53) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL30923126 | 0.94 | JAK2 (0.53) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL18452966 | 0.94 | JAK2 (0.53) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL31288285 | 0.93 | JAK2 (0.54) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL1991997 | 0.93 | JAK2 (0.54) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL652803 | 0.91 | JAK2 (0.53) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL7689008 | 0.90 | PARP1 (0.49) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL652371 | 0.90 | PARP1 (0.49) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL31229825 | 0.88 | PARP1 (0.52) | CCR5JAK2JAK1SMN1; SMN2NPC1 | |
| SCHEMBL31727280 | 0.88 | SMN1; SMN2 (0.56) | CCR5JAK2JAK1SMN1; SMN2NPC1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8735411-B2 | Macrocyclic benzofused pyrimidine derivatives | ABBVIE INC. (US) | 2014-05-27 | — | — | US | disclosed |
| US-8399468-B2 | Octahydro-pyrrolo[3,4-B]pyrrole derivatives | ABBOTT LABORATORIES (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399468-B2 | Octahydro-pyrrolo[3,4-B]pyrrole derivatives | ABBOTT LABORATORIES (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399468-B2 | Octahydro-pyrrolo[3,4-B]pyrrole derivatives | ABBOTT LABORATORIES (US) | 2013-03-19 | — | — | US | disclosed |
| US-8278313-B2 | Macrocyclic spiro pyrimidine derivatives | ABBOTT LABORATORIES (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100222358-A1 | OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100222358-A1 | OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-09-02 | — | — | US | disclosed |
| US-7728031-B2 | Octahydro-pyrrolo[3,4-b]pyrrole derivatives | ABBOTT LABORATORIES (US) | 2010-06-01 | — | — | US | disclosed |
| US-7728031-B2 | Octahydro-pyrrolo[3,4-b]pyrrole derivatives | ABBOTT LABORATORIES (US) | 2010-06-01 | — | — | US | disclosed |
| US-20090233904-A1 | Macrocyclic Spiro Pyrimidine Derivatives | ABBOTT LABORATORIES (US) | 2009-09-17 | — | — | US | disclosed |
| US-20070232612-A1 | Octahydro-pyrrolo[3,4-b]pyrrole Derivatives | ABBVIE INC. | 2007-10-04 | — | — | US | disclosed |
| US-20070232612-A1 | Octahydro-pyrrolo[3,4-b]pyrrole Derivatives | ABBVIE INC. | 2007-10-04 | — | — | US | disclosed |
| US-20070232612-A1 | Octahydro-pyrrolo[3,4-b]pyrrole Derivatives | ABBVIE INC. | 2007-10-04 | — | — | 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-20100222358-A1 | OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES | HRH4, HRH2, TAC3 | CCR5 426/4885JAK2 1138/4885JAK1 1599/4885 |
| US-20090233904-A1 | Macrocyclic Spiro Pyrimidine Derivatives | DPYD, TYMS, TYMP | CCR5 771/4885JAK2 431/4885JAK1 1816/4885 |
| US-20070232612-A1 | Octahydro-pyrrolo[3,4-b]pyrrole Derivatives | HRH4, HRH2, TAC3 | CCR5 399/4885JAK2 1123/4885JAK1 1628/4885 |
“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.