Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.42 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3609423 | 0.81 | MAOB (0.46) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL4833255 | 0.78 | ABCB1 (0.45) | ABCB1ABCG2CCR5ALDH1A1USP28 | |
| SCHEMBL31644088 | 0.72 | SLC6A4 (0.66) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL368071 | 0.72 | SLC6A4 (0.66) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL2578952 | 0.70 | DRD2 (0.57) | ABCB1CCR5ALDH1A1USP28USP25 | |
| SCHEMBL28402660 | 0.69 | RAB9A (0.43) | CCR5RAB9AHTR1ADRD2SLC6A4 | |
| SCHEMBL3236287 | 0.68 | SLC2A1 (0.52) | ALDH1A1RAB9ASLC6A4KDM4EKMT2A | |
| SCHEMBL15196646 | 0.67 | CCR5 (0.63) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL561347 | 0.67 | CCR5 (0.68) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL30353418 | 0.67 | CCR5 (0.68) | CCR5ALDH1A1USP28USP25RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | claimed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | claimed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | claimed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | disclosed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | 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 (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-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | ABCB1 351/4885ABCG2 113/4885CCR5 88/4885 |
“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.