Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15961230 | 0.75 | SIGMAR1 (0.52) | CYP1A2CYP2D6TSHRCYP2C19ALDH1A1 | |
| SCHEMBL2853081 | 0.75 | CHRM1 (0.41) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL2316904 | 0.74 | SIGMAR1 (0.47) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL2116312 | 0.72 | ADRB1 (0.48) | — | |
| SCHEMBL3708454 | 0.71 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3591699 | 0.70 | FAAH (0.50) | TSHRCYP2C19 | |
| SCHEMBL6076770 | 0.69 | KMT2A (0.53) | TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL3605151 | 0.69 | FAAH (0.49) | TSHRCYP2C19 | |
| SCHEMBL592971 | 0.69 | SLC6A4 (0.61) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL217536 | 0.69 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 |
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 2 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 |
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 | LIPG 2895/4885CYP1A2 483/4885CYP3A4 461/4885 |
“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.