Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6413118 | 1.00 | TDP1 (0.45) | TDP1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6418733 | 0.88 | TDP1 (0.49) | TDP1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6418728 | 0.88 | TDP1 (0.49) | TDP1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6410931 | 0.87 | MEN1 (0.43) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6410928 | 0.87 | MEN1 (0.43) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6076664 | 0.80 | CA12 (0.44) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6076667 | 0.80 | CA12 (0.44) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6077170 | 0.78 | TDP1 (0.47) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6077173 | 0.78 | TDP1 (0.47) | TDP1MEN1KMT2ACA12CA1 | |
| SCHEMBL6413341 | 0.78 | TDP1 (0.59) | TDP1CYP3A4CYP2D6CYP2C9CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050043370-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2005-02-24 | — | — | US | disclosed |
| US-6803378-B2 | FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-12 | — | — | US | disclosed |
| US-20030181490-A1 | HIV integrase inhibitors | WALKER MICHAEL A (US) | 2003-09-25 | — | — | US | disclosed |
| EP-1322599-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-02 | — | — | EP | disclosed |
| US-20030027847-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-06 | — | — | US | disclosed |
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001096283-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | 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 (3 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-20050043370-A1 | HIV integrase inhibitors | AKR1C3, CBR3, CBR1 | TDP1 1762/4885CYP3A4 159/4885CYP2D6 176/4885 |
| US-20030181490-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | TDP1 863/4885CYP3A4 108/4885CYP2D6 172/4885 |
| US-20030027847-A1 | HIV integrase inhibitors | CBR1, CCR5, CCR1 | TDP1 863/4885CYP3A4 108/4885CYP2D6 172/4885 |
“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.