Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.54 |
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL188686 | 0.87 | MAPT (0.61) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL29506595 | 0.87 | MAPT (0.61) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL11014853 | 0.87 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL28520505 | 0.85 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL2908655 | 0.85 | RAB9A (0.56) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL7024255 | 0.84 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL1991090 | 0.83 | SMN1; SMN2 (0.76) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL16152794 | 0.82 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL10559871 | 0.82 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 | |
| SCHEMBL5808541 | 0.81 | MEN1 (0.58) | ALDH1A1SMN1; SMN2RAB9ANPC1NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1206265-B1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6498165-B1 | PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| EP-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |
| US-4556709-A | BACTERICIDES, FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-03 | — | — | US | disclosed |
| EP-0142040-A2 | Substituted pyrimidines | BAYER AG (DE) | 1985-05-22 | — | — | EP | disclosed |