Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.36 |
| ▸ | YAP1 | P46937 | 1/20 | 0.36 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.36 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6076881 | 1.00 | CA12 (0.40) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6077241 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6077249 | 0.88 | CA12 (0.42) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6881199 | 0.88 | RIPK1 (0.39) | KMT2AMEN1RIPK1YAP1TEAD4 | |
| SCHEMBL6881196 | 0.88 | RIPK1 (0.39) | KMT2AMEN1RIPK1YAP1TEAD4 | |
| SCHEMBL6077534 | 0.88 | ALDH1A1 (0.38) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6076423 | 0.87 | CA12 (0.38) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6076427 | 0.87 | CA12 (0.38) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6076664 | 0.87 | CA12 (0.44) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL6076667 | 0.87 | CA12 (0.44) | CA12CA9CA1CA2KMT2A |
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 | CA12 4858/4885CA9 4535/4885CA1 4825/4885 |
“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.