Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CALCA | P06881 | 1/20 | 0.38 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2080832 | 0.90 | KCNH2 (0.46) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL2080375 | 0.88 | CYP2C9 (0.42) | CYP2C9KCNH2SMN1; SMN2NPSR1MAPT | |
| SCHEMBL3836236 | 0.87 | KCNH2 (0.49) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL3840235 | 0.87 | KCNH2 (0.49) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL2079269 | 0.87 | CYP2C9 (0.47) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL5532567 | 0.87 | CYP2C9 (0.50) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL3838288 | 0.86 | KCNH2 (0.47) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL5580101 | 0.86 | CYP2C9 (0.52) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL2082776 | 0.85 | CYP2C9 (0.46) | CYP2C9KCNH2SMN1; SMN2NPC1MAPT | |
| SCHEMBL2080829 | 0.85 | CYP2C9 (0.46) | CYP2C9KCNH2SMN1; SMN2NPSR1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897593-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | claimed |
| US-20070281917-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-12-06 | — | — | US | claimed |
| US-7897593-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-7897593-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| WO-2007143446-A1 | SPIRO-CONDENSED HETEROTRICYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-13 | — | — | WO | disclosed |
| US-20070281917-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-12-06 | — | — | US | disclosed |
| US-20070281917-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-12-06 | — | — | 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-20070281917-A1 | HIV Integrase Inhibitors | TYMP, POLN, IMPDH1 | CYP2C9 704/4885KCNH2 3170/4885SMN1; SMN2 4241/4885 |
“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.