Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6076961 | 1.00 | NR1D1 (0.38) | NR1D1KDM1AHDAC8HDAC6KCNQ4 | |
| SCHEMBL6872054 | 0.90 | NR1D1 (0.39) | NR1D1KDM1AHDAC8HDAC6KCNQ4 | |
| SCHEMBL6872051 | 0.90 | NR1D1 (0.39) | NR1D1KDM1AHDAC8HDAC6KCNQ4 | |
| SCHEMBL6077534 | 0.84 | ALDH1A1 (0.38) | CA12CA2CA9CA1RIPK1 | |
| SCHEMBL6076879 | 0.83 | CA12 (0.40) | CA12CA2CA9CA1RIPK1 | |
| SCHEMBL6076881 | 0.83 | CA12 (0.40) | CA12CA2CA9CA1RIPK1 | |
| SCHEMBL6077249 | 0.81 | CA12 (0.42) | CA12CA2CA9CA1RIPK1 | |
| SCHEMBL6077241 | 0.81 | CA12 (0.42) | CA12CA2CA9CA1RIPK1 | |
| SCHEMBL6076427 | 0.80 | CA12 (0.38) | CA12CA2CA9CA1CA7 | |
| SCHEMBL6076423 | 0.80 | CA12 (0.38) | CA12CA2CA9CA1CA7 |
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 | NR1D1 2254/4885KDM1A 228/4885HDAC8 1200/4885 |
“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.