Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | VEGFA | P15692 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9942969 | 1.00 | CYP2C9 (0.40) | CYP2C9KCNH2VEGFAEGLN1S1PR1 | |
| SCHEMBL9943086 | 0.91 | CYP2C9 (0.42) | CYP2C9KCNH2MMP13 | |
| SCHEMBL9943106 | 0.90 | CYP2C9 (0.42) | CYP2C9KCNH2VEGFAEGLN1S1PR1 | |
| SCHEMBL9942947 | 0.90 | CYP2C9 (0.42) | CYP2C9KCNH2VEGFAEGLN1S1PR1 | |
| SCHEMBL9942972 | 0.87 | CYP2C9 (0.43) | CYP2C9KCNH2MMP13 | |
| SCHEMBL9904945 | 0.87 | CYP2C9 (0.40) | CYP2C9KCNH2MMP13 | |
| SCHEMBL9943092 | 0.86 | CYP2C9 (0.41) | CYP2C9KCNH2MMP13 | |
| SCHEMBL9943035 | 0.86 | CYP2C9 (0.43) | CYP2C9KCNH2MMP13 | |
| SCHEMBL9942957 | 0.85 | CYP2C9 (0.36) | CYP2C9 | |
| SCHEMBL9905237 | 0.85 | CYP2C9 (0.41) | CYP2C9KCNH2MMP13 |
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-8835411-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120309698-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-06 | — | — | US | disclosed |
| WO-2012078834-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-14 | — | — | 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-20120309698-A1 | HIV Integrase Inhibitors | DNTT, POLB, UNG | CYP2C9 602/4885KCNH2 3969/4885VEGFA 4349/4885 |
“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.