Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.39 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | CLPP | Q16740 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL4480309 | 0.89 | TNIK (0.37) | AKR1B1TNIKGPR52ERCC1ERCC4 | |
| SCHEMBL1336916 | 0.87 | MEN1 (0.42) | TNIKSMN1; SMN2EGLN1LMNAL3MBTL1 | |
| SCHEMBL4551107 | 0.84 | TNIK (0.39) | AKR1B1TNIKGPR52ERCC1ERCC4 | |
| SCHEMBL5821665 | 0.81 | GRIN2B (0.33) | AKR1B1TNIKGPR52EGLN1ENPP2 | |
| SCHEMBL6031443 | 0.80 | MEN1 (0.37) | TNIKSMN1; SMN2EGLN1LMNAALDH1A1 | |
| SCHEMBL5814580 | 0.79 | TNIK (0.33) | AKR1B1TNIKEGLN1 | |
| SCHEMBL10232607 | 0.79 | AKR1B1 (0.37) | AKR1B1TNIKCLPP | |
| SCHEMBL10233489 | 0.78 | GPR52 (0.40) | AKR1B1TNIKGPR52CLPPGRM2 | |
| SCHEMBL2733763 | 0.77 | AKR1B1 (0.41) | AKR1B1TNIKCLPPGRM2 | |
| SCHEMBL6032207 | 0.77 | MEN1 (0.34) | TNIKSMN1; SMN2EGLN1LMNAALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598264-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20070179196-A1 | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-02 | — | — | US | disclosed |
| EP-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2006107478-A2 | CRYSTALLINE SODIUM SALT OF AN HIV INTEGRASE INHIBITOR | MERCK & CO., INC. (US) | 2006-10-12 | — | — | WO | disclosed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005087767-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | 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-20070179196-A1 | Hiv integrase inhibitors | REV1, TYMP, POLR2H | AKR1B1 2248/4885TNIK 564/4885GPR52 3479/4885 |
“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.