Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.59 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.59 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.59 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.59 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.59 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.59 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076687 | 1.00 | ALDH1A1 (0.61) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL8218097 | 0.86 | GRIN2D (0.60) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL1862570 | 0.83 | RAB9A (0.70) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL13936435 | 0.83 | SRC (0.50) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL2599799 | 0.83 | RAB9A (0.70) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL6871655 | 0.83 | KMT2A (0.60) | ALDH1A1CA1CA2MAPTKDM4E | |
| SCHEMBL738324 | 0.83 | RAB9A (0.70) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL6449519 | 0.83 | MAPT (0.48) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| SCHEMBL6449514 | 0.83 | MAPT (0.48) | ALDH1A1CA1CA2GRIN2DGRIN3B | |
| Ammonia Solution, Strong SCHEMBL8218102 | 0.81 | RAB9A (0.68) | ALDH1A1CA1CA2GRIN2DGRIN3B |
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 8 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 |
| CN-1617849-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2005-05-18 | — | — | CN | disclosed |
| EP-1467695-A2 | HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2004-10-20 | — | — | EP | disclosed |
| US-6777440-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-08-17 | — | — | 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 |
| US-20030176495-A1 | HIV Integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-09-18 | — | — | US | disclosed |
| WO-2003049690-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-19 | — | — | 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 (2 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 563/4885CA1 4825/4885CA2 4572/4885 |
| US-20030176495-A1 | HIV Integrase inhibitors | MAPT, RIF1, HPRT1 | ALDH1A1 976/4885CA1 4511/4885CA2 3492/4885 |
“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.