Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PNMT | P11086 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL669696 | 0.84 | CYP3A4 (0.40) | CYP3A4TSHRPNMTLMNACYP1A2 | |
| SCHEMBL10341257 | 0.84 | LMNA (0.36) | CYP3A4TSHRPNMTTP53LMNA | |
| SCHEMBL13043129 | 0.76 | TSHR (0.34) | CYP3A4TSHRPNMTTP53LMNA | |
| SCHEMBL6414355 | 0.75 | ALDH1A1 (0.45) | CYP3A4TSHRPNMTTP53ALDH1A1 | |
| SCHEMBL12985509 | 0.74 | CYP3A4 (0.38) | CYP3A4PNMTLMNACYP1A2CYP2D6 | |
| SCHEMBL3873608 | 0.73 | MET (0.34) | CYP3A4TSHRTP53METALDH1A1 | |
| SCHEMBL3790528 | 0.71 | ALDH1A1 (0.52) | CYP3A4TSHRPNMTLMNACYP1A2 | |
| SCHEMBL13748950 | 0.71 | MET (0.36) | TSHRMET | |
| SCHEMBL2359630 | 0.71 | TSHR (0.47) | CYP3A4TSHRTP53LMNACYP1A2 | |
| SCHEMBL279564 | 0.70 | CYP1A2 (0.44) | CYP3A4TSHRPNMTLMNACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114879-B2 | 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides | SCHERING CORPORATION (US) | 2012-02-14 | — | — | US | disclosed |
| US-7825121-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2010-11-02 | — | — | US | disclosed |
| US-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-08-07 | — | — | 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-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR2 | CYP3A4 792/4885TSHR 504/4885PNMT 791/4885 |
“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.