Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 6/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL87620 | 0.92 | S1PR3 (0.34) | S1PR3RORCTSHRKCNH2CYP2C9 | |
| SCHEMBL62481 | 0.90 | KCNH2 (0.42) | KCNH2CYP2C9 | |
| SCHEMBL62281 | 0.86 | KCNH2 (0.42) | KCNH2CYP2C9 | |
| SCHEMBL63101 | 0.84 | KCNH2 (0.43) | TSHRKCNH2CYP2C9 | |
| SCHEMBL52913 | 0.80 | CYP2C9 (0.44) | DGAT1KCNH2CYP2C9MMP13MAPK1 | |
| SCHEMBL63621 | 0.79 | ROCK2 (0.38) | RORC | |
| SCHEMBL63287 | 0.78 | KCNH2 (0.42) | SCDKCNH2CYP2C9 | |
| SCHEMBL64026 | 0.78 | CYP2C9 (0.44) | PDE5ADGAT1KCNH2CYP2C9MMP13 | |
| SCHEMBL63674 | 0.78 | KCNH2 (0.34) | PDE5ADGAT1KCNH2CYP2C9MMP13 | |
| SCHEMBL63209 | 0.77 | CYP2C9 (0.38) | PDE5ADGAT1KCNH2CYP2C9MMP13 |
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-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 |
| 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 | SCD 2871/4885S1PR3 4410/4885PDE5A 813/4885 |
“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.