Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 2/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | CPA2 | P48052 | 1/20 | 0.33 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL62611 | 0.96 | KCNH2 (0.38) | KCNH2CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL62603 | 0.91 | KCNH2 (0.48) | KCNH2CYP2C9P2RX7ALDH1A1CYP3A4 | |
| SCHEMBL63762 | 0.91 | KCNH2 (0.48) | KCNH2CYP2C9P2RX7ALDH1A1CYP3A4 | |
| SCHEMBL62607 | 0.90 | KCNH2 (0.42) | KCNH2CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL62639 | 0.89 | MMP13 (0.34) | KCNH2CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL63389 | 0.89 | CYP2C9 (0.49) | KCNH2CYP2C9P2RX7ALDH1A1MAPT | |
| SCHEMBL62623 | 0.88 | KCNH2 (0.41) | KCNH2CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL64172 | 0.87 | KCNH2 (0.36) | KCNH2CYP2C9ALDH1A1KDM4ELMNA | |
| SCHEMBL63393 | 0.86 | KCNH2 (0.47) | KCNH2CYP2C9P2RX7ALDH1A1KDM4E | |
| SCHEMBL64242 | 0.85 | MMP13 (0.39) | KCNH2CYP2C9ALDH1A1KDM4ELMNA |
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 5 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-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 |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | 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-20090253677-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | KCNH2 3969/4885CYP2C9 602/4885P2RX7 3911/4885 |
“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.