Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | DDR1 | Q08345 | 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 | |
|---|---|---|---|---|
| SCHEMBL6077533 | 1.00 | ALDH1A1 (0.31) | ALDH1A1TSHRDDR1 | |
| SCHEMBL6078045 | 0.88 | RIPK1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL6077676 | 0.88 | RIPK1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL6078912 | 0.87 | RIPK1 (0.34) | ALDH1A1TSHRDDR1 | |
| SCHEMBL6078910 | 0.87 | RIPK1 (0.34) | ALDH1A1TSHRDDR1 | |
| SCHEMBL6450854 | 0.86 | SLC6A2 (0.34) | ALDH1A1TSHR | |
| SCHEMBL6078106 | 0.86 | SLC6A2 (0.34) | ALDH1A1TSHR | |
| SCHEMBL6078853 | 0.84 | SLC6A4 (0.36) | — | |
| SCHEMBL6878066 | 0.84 | SLC6A4 (0.36) | — | |
| SCHEMBL6078684 | 0.83 | DDR1 (0.31) | ALDH1A1TSHRDDR1 |
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 | ALDH1A1 563/4885TSHR 4830/4885DDR1 3524/4885 |
“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.