Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.63 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 3/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | MARS1 | P56192 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8092923 | 0.90 | SIGMAR1 (0.66) | SIGMAR1TRPV1 | |
| SCHEMBL18768843 | 0.90 | CYP1A2 (0.71) | SIGMAR1TRPV1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9618249 | 0.90 | CYP1A2 (0.61) | SIGMAR1TRPV1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8042005 | 0.83 | L3MBTL1 (0.60) | SIGMAR1TRPV1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5805752 | 0.83 | CYP1A2 (0.66) | SIGMAR1TRPV1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11883482 | 0.82 | SIGMAR1 (0.84) | SIGMAR1BCHECHRM2MAOAMPO | |
| SCHEMBL9523328 | 0.81 | SIGMAR1 (0.70) | SIGMAR1BCHECHRM2MAOA | |
| SCHEMBL3566361 | 0.81 | SIGMAR1 (0.66) | SIGMAR1TRPV1 | |
| SCHEMBL4065566 | 0.80 | SIGMAR1 (0.88) | SIGMAR1BCHECHRM2MAOAMPO | |
| SCHEMBL11089154 | 0.80 | CYP1A2 (0.66) | SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19 |
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-7109186-B2 | 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-09-19 | — | — | US | disclosed |
| US-20040110804-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-10 | — | — | US | disclosed |
| WO-2004004657-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-15 | — | — | 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-20040110804-A1 | HIV integrase inhibitors | CDKN1A, SAMHD1, CTCF | SIGMAR1 4036/4885TRPV1 4770/4885CYP1A2 483/4885 |
“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.