Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 3/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CALCA | P06881 | 1/20 | 0.32 |
| ▸ | PPIA | P62937 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL63266 | 0.92 | SCD (0.38) | S1PR3RORCCYP2C9KCNH2TSHR | |
| SCHEMBL62481 | 0.90 | KCNH2 (0.42) | CYP2C9KCNH2CALCASMN1; SMN2ALDH1A1 | |
| SCHEMBL62281 | 0.86 | KCNH2 (0.42) | CYP2C9KCNH2CALCAHPGDSMN1; SMN2 | |
| SCHEMBL63101 | 0.84 | KCNH2 (0.43) | CYP2C9KCNH2CALCATSHRSMN1; SMN2 | |
| SCHEMBL63621 | 0.79 | ROCK2 (0.38) | RORCHPGDCTSLCTSBCTSS | |
| SCHEMBL63287 | 0.78 | KCNH2 (0.42) | CYP2C9KCNH2CALCAHPGDSMN1; SMN2 | |
| SCHEMBL9942973 | 0.77 | MMP13 (0.35) | S1PR3RORCCYP2C9KCNH2PPIA | |
| SCHEMBL62484 | 0.76 | KCNH2 (0.47) | CYP2C9KCNH2CALCATSHRSMN1; SMN2 | |
| SCHEMBL63992 | 0.76 | CYP2C9 (0.44) | CYP2C9KCNH2ALDH1A1 | |
| SCHEMBL9943040 | 0.76 | MMP13 (0.34) | RORCCYP2C9KCNH2CALCAPPIA |
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-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | 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-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | S1PR3 4410/4885RORC 1817/4885CYP2C9 602/4885 |
“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.