Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18893544 | 0.71 | HTR1A (0.34) | CYP1A2TDP1CHRNB4CHRNA3GNAI3 | |
| SCHEMBL16132848 | 0.69 | CHRNB2 (0.52) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL25075396 | 0.69 | CHRNB2 (0.52) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL24309126 | 0.69 | CHRNB2 (0.52) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27380463 | 0.69 | CHRNB2 (0.52) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22622606 | 0.66 | PIK3CD (0.43) | CYP1A2TDP1PIK3CDDPP4DPP7 | |
| SCHEMBL14873797 | 0.66 | CHRNB2 (0.58) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL23714408 | 0.66 | CHRNB2 (0.58) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14471289 | 0.66 | CHRNB2 (0.58) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL18685434 | 0.66 | CHRNB2 (0.58) | CYP1A2TDP1CHRNB2CHRNB4CHRNA3 |
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 2 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-20080103125-A1 | Heterocylic antiviral compounds | ROCHE PALO ALTO LLC | 2008-05-01 | — | — | 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 (1 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-20080103125-A1 | Heterocylic antiviral compounds | CCR5, ACKR3, CXCR3 | CYP1A2 1599/4885TDP1 3884/4885CHRNB2 2332/4885 |
“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.