Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955278 | 0.86 | ATR (0.44) | SCN9AKDM4EATRGSK3BDYRK1A | |
| SCHEMBL1943232 | 0.83 | SCN9A (0.38) | SCN9AATRGSK3BDYRK1ACYP17A1 | |
| SCHEMBL6180772 | 0.81 | ALDH1A1 (0.45) | CYP1A2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL31663334 | 0.80 | CYP1A2 (0.45) | CYP1A2SCN9AKDM4EATRALDH1A1 | |
| SCHEMBL24343974 | 0.78 | CYP1A2 (0.62) | CYP1A2KDM4EATRALDH1A1GSK3B | |
| SCHEMBL1258539 | 0.75 | ATR (0.47) | ATRGSK3BDYRK1ARAB9ACYP17A1 | |
| SCHEMBL22213871 | 0.75 | AAK1 (0.38) | SCN9AKDM4EATRGSK3BDYRK1A | |
| SCHEMBL29436150 | 0.75 | AAK1 (0.38) | SCN9AKDM4EATRGSK3BDYRK1A | |
| SCHEMBL28458230 | 0.74 | ATR (0.40) | CYP1A2SCN9AATRGSK3BDYRK1A | |
| SCHEMBL28997343 | 0.74 | SORT1 (0.48) | NPC1RAB9ALCKHDAC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218376-B1 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6586424-B2 | Anticancer agents; anticholesterol agents | MERCK & CO., INC. | 2003-07-01 | — | — | US | disclosed |
| US-6586423-B2 | 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy | MERCK & CO., INC. | 2003-07-01 | — | — | US | disclosed |
| US-20030064996-A1 | Tyrosine kinase inhibitors | MERCK SHARP & DOHME CORP. | 2003-04-03 | — | — | US | disclosed |
| US-20020147203-A1 | Tyrosine kinase inhibitors | MERCK & CO., INC. | 2002-10-10 | — | — | US | 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-20020147203-A1 | Tyrosine kinase inhibitors | ERBB2, TYRO3, TIE1 | CYP1A2 4812/4885SCN9A 4740/4885KDM4E 2200/4885 |
| US-20030064996-A1 | Tyrosine kinase inhibitors | ERBB2, TYRO3, TIE1 | CYP1A2 4812/4885SCN9A 4740/4885KDM4E 2200/4885 |
“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.